benzenesulfonamide

C6H7NO2S — CID 7370

IUPACbenzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1
InChIInChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
InChIKeyKHBQMWCZKVMBLN-UHFFFAOYSA-N
MW157.19 g/mol
LogP0.33
Rot. Bonds1

About benzenesulfonamide

benzenesulfonamide (PubChem CID 7370) has the molecular formula C6H7NO2S and a molecular weight of 157.19 g/mol. Its IUPAC name is benzenesulfonamide.

Molecular Properties

Compound Namebenzenesulfonamide
PubChem CID7370
Molecular FormulaC6H7NO2S
Molecular Weight157.19 g/mol
Exact Mass157.02
IUPAC Namebenzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1
InChIInChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9)
InChIKeyKHBQMWCZKVMBLN-UHFFFAOYSA-N
XLogP0.33
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.19
LogP ≤ 50.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of benzenesulfonamide?
The IUPAC name of benzenesulfonamide (CID 7370) is benzenesulfonamide.
What is the SMILES notation for benzenesulfonamide?
The canonical SMILES for benzenesulfonamide is NS(=O)(=O)c1ccccc1.
What is the InChIKey of benzenesulfonamide?
The InChIKey is KHBQMWCZKVMBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S/c7-10(8,9)6-4-2-1-3-5-6/h1-5H,(H2,7,8,9).
What are the key properties of benzenesulfonamide?
benzenesulfonamide has a molecular weight of 157.19 g/mol, XLogP of 0.33, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for benzenesulfonamide is sourced from PubChem (CID 7370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).