2-chloro-5-cyanobenzenesulfonamide

C7H5ClN2O2S — CID 22641271

IUPAC2-chloro-5-cyanobenzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C7H5ClN2O2S/c8-6-2-1-5(4-9)3-7(6)13(10,11)12/h1-3H,(H2,10,11,12)
InChIKeyUQRASOYVDGPZKP-UHFFFAOYSA-N
MW216.65 g/mol
LogP0.86
Rot. Bonds1

About 2-chloro-5-cyanobenzenesulfonamide

2-chloro-5-cyanobenzenesulfonamide (PubChem CID 22641271) has the molecular formula C7H5ClN2O2S and a molecular weight of 216.65 g/mol. Its IUPAC name is 2-chloro-5-cyanobenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-5-cyanobenzenesulfonamide
PubChem CID22641271
Molecular FormulaC7H5ClN2O2S
Molecular Weight216.65 g/mol
Exact Mass215.98
IUPAC Name2-chloro-5-cyanobenzenesulfonamide
SMILESN#Cc1ccc(Cl)c(S(N)(=O)=O)c1
InChIInChI=1S/C7H5ClN2O2S/c8-6-2-1-5(4-9)3-7(6)13(10,11)12/h1-3H,(H2,10,11,12)
InChIKeyUQRASOYVDGPZKP-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

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2-Chloro-5-trifluoromethyl-benzenesulfonamide
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2-Chloro-4-cyanobenzene-1-sulfonyl chloride
CID 2735722
5-Chloro-2-cyanobenzenesulfonyl chloride
CID 16792538
4-Chloro-3-cyanobenzene-1-sulfonyl chloride
CID 18072853
4-Chloro-2-cyanobenzene-1-sulfonamide
CID 18971409
3-Chloro-4-cyanobenzene-1-sulfonamide
CID 43164305
2-Chloro-3-cyanobenzene-1-sulfonyl chloride
CID 55280435
4-Chloro-2-fluoro-5-sulfamoylbenzonitrile
CID 68424808
N-(2-chloro-5-cyanophenyl)sulfonyl-2,2,2-trifluoroacetamide
CID 23525847
2-Chloro-4-fluoro-5-methylbenzenesulfonamide
CID 50998098

Frequently Asked Questions

What is the IUPAC name of 2-chloro-5-cyanobenzenesulfonamide?
The IUPAC name of 2-chloro-5-cyanobenzenesulfonamide (CID 22641271) is 2-chloro-5-cyanobenzenesulfonamide.
What is the SMILES notation for 2-chloro-5-cyanobenzenesulfonamide?
The canonical SMILES for 2-chloro-5-cyanobenzenesulfonamide is N#Cc1ccc(Cl)c(S(N)(=O)=O)c1.
What is the InChIKey of 2-chloro-5-cyanobenzenesulfonamide?
The InChIKey is UQRASOYVDGPZKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2S/c8-6-2-1-5(4-9)3-7(6)13(10,11)12/h1-3H,(H2,10,11,12).
What are the key properties of 2-chloro-5-cyanobenzenesulfonamide?
2-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 2-chloro-5-cyanobenzenesulfonamide is sourced from PubChem (CID 22641271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).