2-sulfanylbenzenesulfonamide

C6H7NO2S2 — CID 11041532

IUPAC2-sulfanylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1S
InChIInChI=1S/C6H7NO2S2/c7-11(8,9)6-4-2-1-3-5(6)10/h1-4,10H,(H2,7,8,9)
InChIKeyAVGVXNKQACEGBG-UHFFFAOYSA-N
MW189.26 g/mol
LogP0.62
Rot. Bonds1

About 2-sulfanylbenzenesulfonamide

2-sulfanylbenzenesulfonamide (PubChem CID 11041532) has the molecular formula C6H7NO2S2 and a molecular weight of 189.26 g/mol. Its IUPAC name is 2-sulfanylbenzenesulfonamide.

Molecular Properties

Compound Name2-sulfanylbenzenesulfonamide
PubChem CID11041532
Molecular FormulaC6H7NO2S2
Molecular Weight189.26 g/mol
Exact Mass188.99
IUPAC Name2-sulfanylbenzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1S
InChIInChI=1S/C6H7NO2S2/c7-11(8,9)6-4-2-1-3-5(6)10/h1-4,10H,(H2,7,8,9)
InChIKeyAVGVXNKQACEGBG-UHFFFAOYSA-N
XLogP0.62
TPSA60.16 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.26
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiol_2', 'substructure': 'N/A'}

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Related Compounds

2-chloro-3-sulfanylbenzenesulfonamide
CID 168966087
5-sulfanylnaphthalene-1-sulfonamide
CID 67168199
2-methylbenzenesulfonamide
CID 6924
2-bromobenzenesulfonamide;hydrochloride
CID 172836390
2-(dichloromethyl)benzenesulfonamide
CID 13364615
2-[(E)-2-(2-sulfamoylphenyl)ethenyl]benzenesulfonamide
CID 6186872
2-(4-amino-3-sulfanylphenyl)benzenesulfonamide
CID 142012293
2-(1-hydroxypropan-2-yl)benzenesulfonamide
CID 167679845
2-(2-bromophenyl)sulfanylbenzenesulfonamide
CID 15561583
2-benzylbenzenesulfonamide;methane
CID 175312349
2-(2-bromobutyl)benzenesulfonamide
CID 63203633
2-(2-bromopentan-3-yl)benzenesulfonamide
CID 63203612

Frequently Asked Questions

What is the IUPAC name of 2-sulfanylbenzenesulfonamide?
The IUPAC name of 2-sulfanylbenzenesulfonamide (CID 11041532) is 2-sulfanylbenzenesulfonamide.
What is the SMILES notation for 2-sulfanylbenzenesulfonamide?
The canonical SMILES for 2-sulfanylbenzenesulfonamide is NS(=O)(=O)c1ccccc1S.
What is the InChIKey of 2-sulfanylbenzenesulfonamide?
The InChIKey is AVGVXNKQACEGBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7NO2S2/c7-11(8,9)6-4-2-1-3-5(6)10/h1-4,10H,(H2,7,8,9).
What are the key properties of 2-sulfanylbenzenesulfonamide?
2-sulfanylbenzenesulfonamide has a molecular weight of 189.26 g/mol, XLogP of 0.62, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-sulfanylbenzenesulfonamide is sourced from PubChem (CID 11041532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).