3-aminobenzenesulfonamide

C6H8N2O2S — CID 7377

IUPAC3-aminobenzenesulfonamide
SMILESNc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C6H8N2O2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
InChIKeyJPVKCHIPRSQDKL-UHFFFAOYSA-N
MW172.21 g/mol
LogP-0.08
Rot. Bonds1

About 3-aminobenzenesulfonamide

3-aminobenzenesulfonamide (PubChem CID 7377) has the molecular formula C6H8N2O2S and a molecular weight of 172.21 g/mol. Its IUPAC name is 3-aminobenzenesulfonamide.

Molecular Properties

Compound Name3-aminobenzenesulfonamide
PubChem CID7377
Molecular FormulaC6H8N2O2S
Molecular Weight172.21 g/mol
Exact Mass172.03
IUPAC Name3-aminobenzenesulfonamide
SMILESNc1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C6H8N2O2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10)
InChIKeyJPVKCHIPRSQDKL-UHFFFAOYSA-N
XLogP-0.08
TPSA86.18 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.21
LogP ≤ 5-0.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-aminobenzenesulfonamide?
The IUPAC name of 3-aminobenzenesulfonamide (CID 7377) is 3-aminobenzenesulfonamide.
What is the SMILES notation for 3-aminobenzenesulfonamide?
The canonical SMILES for 3-aminobenzenesulfonamide is Nc1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-aminobenzenesulfonamide?
The InChIKey is JPVKCHIPRSQDKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8N2O2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,7H2,(H2,8,9,10).
What are the key properties of 3-aminobenzenesulfonamide?
3-aminobenzenesulfonamide has a molecular weight of 172.21 g/mol, XLogP of -0.08, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-aminobenzenesulfonamide is sourced from PubChem (CID 7377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).