3-chloro-5-cyanobenzenesulfonamide

C7H5ClN2O2S — CID 129416074

IUPAC3-chloro-5-cyanobenzenesulfonamide
SMILESN#Cc1cc(Cl)cc(S(N)(=O)=O)c1
InChIInChI=1S/C7H5ClN2O2S/c8-6-1-5(4-9)2-7(3-6)13(10,11)12/h1-3H,(H2,10,11,12)
InChIKeyJVTWKHQMVYLUMJ-UHFFFAOYSA-N
MW216.65 g/mol
LogP0.86
Rot. Bonds1

About 3-chloro-5-cyanobenzenesulfonamide

3-chloro-5-cyanobenzenesulfonamide (PubChem CID 129416074) has the molecular formula C7H5ClN2O2S and a molecular weight of 216.65 g/mol. Its IUPAC name is 3-chloro-5-cyanobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-5-cyanobenzenesulfonamide
PubChem CID129416074
Molecular FormulaC7H5ClN2O2S
Molecular Weight216.65 g/mol
Exact Mass215.98
IUPAC Name3-chloro-5-cyanobenzenesulfonamide
SMILESN#Cc1cc(Cl)cc(S(N)(=O)=O)c1
InChIInChI=1S/C7H5ClN2O2S/c8-6-1-5(4-9)2-7(3-6)13(10,11)12/h1-3H,(H2,10,11,12)
InChIKeyJVTWKHQMVYLUMJ-UHFFFAOYSA-N
XLogP0.86
TPSA83.95 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.65
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-chloro-5-(cyanomethyl)benzenesulfonamide
CID 79020204
5-cyanopyridine-3-sulfonamide
CID 119031917
3-chloro-5-cyano-N-(2,4-difluorophenyl)benzenesulfonamide
CID 146601038
3-chloro-5-[(2,4-difluorophenyl)methylsulfonyl]benzonitrile
CID 158690266
2,4-dichloro-6-cyanobenzenesulfonamide
CID 171007997
3-methyl-5-methylsulfonylbenzonitrile
CID 58503757
3-chloro-4-(4-cyanophenoxy)benzenesulfonamide
CID 61374077
3-cyano-5-fluorobenzenesulfonyl chloride
CID 55280684
3-chloro-5-[(E)-2-cyanoethenyl]benzonitrile
CID 68708370
3,5-dibromo-4-chlorobenzenesulfonamide
CID 171009073
potassium 3-chlorobenzenesulfonamide
CID 19353487
5-cyano-2-fluorobenzenesulfonamide
CID 67530919

Frequently Asked Questions

What is the IUPAC name of 3-chloro-5-cyanobenzenesulfonamide?
The IUPAC name of 3-chloro-5-cyanobenzenesulfonamide (CID 129416074) is 3-chloro-5-cyanobenzenesulfonamide.
What is the SMILES notation for 3-chloro-5-cyanobenzenesulfonamide?
The canonical SMILES for 3-chloro-5-cyanobenzenesulfonamide is N#Cc1cc(Cl)cc(S(N)(=O)=O)c1.
What is the InChIKey of 3-chloro-5-cyanobenzenesulfonamide?
The InChIKey is JVTWKHQMVYLUMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2S/c8-6-1-5(4-9)2-7(3-6)13(10,11)12/h1-3H,(H2,10,11,12).
What are the key properties of 3-chloro-5-cyanobenzenesulfonamide?
3-chloro-5-cyanobenzenesulfonamide has a molecular weight of 216.65 g/mol, XLogP of 0.86, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-5-cyanobenzenesulfonamide is sourced from PubChem (CID 129416074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).