3-chlorobenzenesulfonamide

C6H6ClNO2S — CID 519377

IUPAC3-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C6H6ClNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKeyWSYQJNPRQUFCGL-UHFFFAOYSA-N
MW191.64 g/mol
LogP0.99
Rot. Bonds1

About 3-chlorobenzenesulfonamide

3-chlorobenzenesulfonamide (PubChem CID 519377) has the molecular formula C6H6ClNO2S and a molecular weight of 191.64 g/mol. Its IUPAC name is 3-chlorobenzenesulfonamide.

Molecular Properties

Compound Name3-chlorobenzenesulfonamide
PubChem CID519377
Molecular FormulaC6H6ClNO2S
Molecular Weight191.64 g/mol
Exact Mass190.98
IUPAC Name3-chlorobenzenesulfonamide
SMILESNS(=O)(=O)c1cccc(Cl)c1
InChIInChI=1S/C6H6ClNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10)
InChIKeyWSYQJNPRQUFCGL-UHFFFAOYSA-N
XLogP0.99
TPSA60.16 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.64
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-chlorobenzenesulfonamide?
The IUPAC name of 3-chlorobenzenesulfonamide (CID 519377) is 3-chlorobenzenesulfonamide.
What is the SMILES notation for 3-chlorobenzenesulfonamide?
The canonical SMILES for 3-chlorobenzenesulfonamide is NS(=O)(=O)c1cccc(Cl)c1.
What is the InChIKey of 3-chlorobenzenesulfonamide?
The InChIKey is WSYQJNPRQUFCGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6ClNO2S/c7-5-2-1-3-6(4-5)11(8,9)10/h1-4H,(H2,8,9,10).
What are the key properties of 3-chlorobenzenesulfonamide?
3-chlorobenzenesulfonamide has a molecular weight of 191.64 g/mol, XLogP of 0.99, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chlorobenzenesulfonamide is sourced from PubChem (CID 519377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).