1-Butanesulfonamide
PubChem CID: 18460
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| Compound Synonyms | butane-1-sulfonamide, 1-BUTANESULFONAMIDE, 3144-04-5, butanesulfonamide, N-Butylsulfonamide, Butansulfamid, Butansulfamid [German], NSC 26772, BRN 1749709, 934CE25MDC, DTXSID80185364, NSC-26772, n-butylsulphonamide, MFCD00465180, 1-n-Butanesulfonamide, SCHEMBL2826, Butan-1-sulfonic acid amide, UNII-934CE25MDC, butane-1-sulfonic acid amide, DTXCID90107855, OVIZSQRQYWEGON-UHFFFAOYSA-N, NSC26772, AKOS000143030, FS-4925, DB-068463, CS-0450901, EN300-30817, Z55264566, 674-861-1 |
|---|---|
| Ghose Rule | False |
| Classyfire Kingdom | Organic compounds |
| Topological Polar Surface Area | 68.5 |
| Hydrogen Bond Donor Count | 1.0 |
| Pfizer 3 75 Rule | False |
| Deep Smiles | CCCCS=O)=O)N |
| Heavy Atom Count | 8.0 |
| Classyfire Class | Organic sulfonic acids and derivatives |
| Classyfire Subclass | Organosulfonic acids and derivatives |
| Isotope Atom Count | 0.0 |
| Molecular Complexity | 133.0 |
| Database Name | imppat_phytochem;pubchem |
| Defined Atom Stereocenter Count | 0.0 |
| Iupac Name | butane-1-sulfonamide |
| Veber Rule | True |
| Classyfire Superclass | Organic acids and derivatives |
| Xlogp | 0.2 |
| Gsk 4 400 Rule | True |
| Molecular Formula | C4H11NO2S |
| Inchi Key | OVIZSQRQYWEGON-UHFFFAOYSA-N |
| Silicos It Class | Soluble |
| Rotatable Bond Count | 3.0 |
| Synonyms | n-butylsulfonamide |
| Esol Class | Very soluble |
| Functional Groups | CS(N)(=O)=O |
| Compound Name | 1-Butanesulfonamide |
| Exact Mass | 137.051 |
| Formal Charge | 0.0 |
| Monoisotopic Mass | 137.051 |
| Hydrogen Bond Acceptor Count | 3.0 |
| Molecular Weight | 137.2 |
| Gi Absorption | True |
| Covalent Unit Count | 1.0 |
| Total Atom Stereocenter Count | 0.0 |
| Total Bond Stereocenter Count | 0.0 |
| Lipinski Rule Of 5 | True |
| Inchi | InChI=1S/C4H11NO2S/c1-2-3-4-8(5,6)7/h2-4H2,1H3,(H2,5,6,7) |
| Smiles | CCCCS(=O)(=O)N |
| Defined Bond Stereocenter Count | 0.0 |
| Egan Rule | True |
- 1. Outgoing r'ship
FOUND_INto/from Corymbia Citriodora (Plant) Rel Props:Reference:https://doi.org/10.1080/10412905.2004.9698798