4-hydroxybutane-1-sulfonamide

C4H11NO3S — CID 21436386

IUPAC4-hydroxybutane-1-sulfonamide
SMILESNS(=O)(=O)CCCCO
InChIInChI=1S/C4H11NO3S/c5-9(7,8)4-2-1-3-6/h6H,1-4H2,(H2,5,7,8)
InChIKeyUAPRFDOPWAVCRL-UHFFFAOYSA-N
MW153.20 g/mol
LogP-0.95
Rot. Bonds4

About 4-hydroxybutane-1-sulfonamide

4-hydroxybutane-1-sulfonamide (PubChem CID 21436386) has the molecular formula C4H11NO3S and a molecular weight of 153.20 g/mol. Its IUPAC name is 4-hydroxybutane-1-sulfonamide.

Molecular Properties

Compound Name4-hydroxybutane-1-sulfonamide
PubChem CID21436386
Molecular FormulaC4H11NO3S
Molecular Weight153.20 g/mol
Exact Mass153.05
IUPAC Name4-hydroxybutane-1-sulfonamide
SMILESNS(=O)(=O)CCCCO
InChIInChI=1S/C4H11NO3S/c5-9(7,8)4-2-1-3-6/h6H,1-4H2,(H2,5,7,8)
InChIKeyUAPRFDOPWAVCRL-UHFFFAOYSA-N
XLogP-0.95
TPSA80.39 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500153.20
LogP ≤ 5-0.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

dodecane-1,12-disulfonamide
CID 57288842
ethane-1,2-diol;ethane-1,2-disulfonamide
CID 23286412
propane-1,3-disulfonamide
CID 22153832
heptane-1,7-diol;sulfamic acid
CID 174999895
4-(4-hydroxybutylsulfonyl)butan-1-ol
CID 14454817
7-(7-hydroxyheptylsulfonyl)heptan-1-ol
CID 151404373
16-hydroxyhexadecane-1-sulfonic acid
CID 19978840
18-hydroxyoctadecane-1-sulfonic acid
CID 22372907
4-chlorobutane-1-sulfonamide
CID 18461
7-sulfanylheptane-1-sulfonamide
CID 10353110
5-ethylsulfonylpentan-1-ol
CID 62353355
pentacosane-1-sulfonamide
CID 149252389

Frequently Asked Questions

What is the IUPAC name of 4-hydroxybutane-1-sulfonamide?
The IUPAC name of 4-hydroxybutane-1-sulfonamide (CID 21436386) is 4-hydroxybutane-1-sulfonamide.
What is the SMILES notation for 4-hydroxybutane-1-sulfonamide?
The canonical SMILES for 4-hydroxybutane-1-sulfonamide is NS(=O)(=O)CCCCO.
What is the InChIKey of 4-hydroxybutane-1-sulfonamide?
The InChIKey is UAPRFDOPWAVCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H11NO3S/c5-9(7,8)4-2-1-3-6/h6H,1-4H2,(H2,5,7,8).
What are the key properties of 4-hydroxybutane-1-sulfonamide?
4-hydroxybutane-1-sulfonamide has a molecular weight of 153.20 g/mol, XLogP of -0.95, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxybutane-1-sulfonamide is sourced from PubChem (CID 21436386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).