4-chloro-2-cyanobenzenesulfonamide

C7H5ClN2O2S — CID 18971409

IUPAC4-chloro-2-cyanobenzenesulfonamide
SMILESN#Cc1cc(Cl)ccc1S(N)(=O)=O
InChIInChI=1S/C7H5ClN2O2S/c8-6-1-2-7(13(10,11)12)5(3-6)4-9/h1-3H,(H2,10,11,12)
InChIKeyCKYIFWQORONJHP-UHFFFAOYSA-N
MW216.65 g/mol
LogP0.86
Rot. Bonds1

About 4-chloro-2-cyanobenzenesulfonamide

4-chloro-2-cyanobenzenesulfonamide (PubChem CID 18971409) has the molecular formula C7H5ClN2O2S and a molecular weight of 216.65 g/mol. Its IUPAC name is 4-chloro-2-cyanobenzenesulfonamide.

Molecular Properties

Compound Name4-chloro-2-cyanobenzenesulfonamide
PubChem CID18971409
Molecular FormulaC7H5ClN2O2S
Molecular Weight216.65 g/mol
Exact Mass215.98
IUPAC Name4-chloro-2-cyanobenzenesulfonamide
SMILESN#Cc1cc(Cl)ccc1S(N)(=O)=O
InChIInChI=1S/C7H5ClN2O2S/c8-6-1-2-7(13(10,11)12)5(3-6)4-9/h1-3H,(H2,10,11,12)
InChIKeyCKYIFWQORONJHP-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

2-Chloro-4-cyanobenzene-1-sulfonyl chloride
CID 2735722
4-Chloro-2-cyanophenylsulfonyl chloride
CID 15725372
5-Chloro-2-cyanobenzenesulfonyl chloride
CID 16792538
4-Chloro-3-cyanobenzene-1-sulfonyl chloride
CID 18072853
3-Chloro-2-cyanobenzenesulfonyl chloride
CID 18974428
2-Chloro-5-cyanobenzenesulfonamide
CID 22641271
3-Chloro-4-cyanobenzene-1-sulfonamide
CID 43164305
5-Chloro-2-sulfanylbenzonitrile
CID 62494988
4-chloro-2-cyano-N-methyl-N-(2-methylpropyl)benzenesulfonamide
CID 71871395
4-chloro-2-cyano-N-ethyl-N-methylbenzenesulfonamide
CID 71997657
4-chloro-2-cyano-N-(3-methoxypropyl)-N-methylbenzenesulfonamide
CID 71997701
2-Cyanobenzenesulfonamide
CID 1511075

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-cyanobenzenesulfonamide?
The IUPAC name of 4-chloro-2-cyanobenzenesulfonamide (CID 18971409) is 4-chloro-2-cyanobenzenesulfonamide.
What is the SMILES notation for 4-chloro-2-cyanobenzenesulfonamide?
The canonical SMILES for 4-chloro-2-cyanobenzenesulfonamide is N#Cc1cc(Cl)ccc1S(N)(=O)=O.
What is the InChIKey of 4-chloro-2-cyanobenzenesulfonamide?
The InChIKey is CKYIFWQORONJHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2S/c8-6-1-2-7(13(10,11)12)5(3-6)4-9/h1-3H,(H2,10,11,12).
What are the key properties of 4-chloro-2-cyanobenzenesulfonamide?
4-chloro-2-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 4-chloro-2-cyanobenzenesulfonamide is sourced from PubChem (CID 18971409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).