5-chloro-2-cyanobenzenesulfonamide

C7H5ClN2O2S — CID 43243622

IUPAC5-chloro-2-cyanobenzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C7H5ClN2O2S/c8-6-2-1-5(4-9)7(3-6)13(10,11)12/h1-3H,(H2,10,11,12)
InChIKeyWRLACKZDIZSPNI-UHFFFAOYSA-N
MW216.65 g/mol
LogP0.86
Rot. Bonds1

About 5-chloro-2-cyanobenzenesulfonamide

5-chloro-2-cyanobenzenesulfonamide (PubChem CID 43243622) has the molecular formula C7H5ClN2O2S and a molecular weight of 216.65 g/mol. Its IUPAC name is 5-chloro-2-cyanobenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-cyanobenzenesulfonamide
PubChem CID43243622
Molecular FormulaC7H5ClN2O2S
Molecular Weight216.65 g/mol
Exact Mass215.98
IUPAC Name5-chloro-2-cyanobenzenesulfonamide
SMILESN#Cc1ccc(Cl)cc1S(N)(=O)=O
InChIInChI=1S/C7H5ClN2O2S/c8-6-2-1-5(4-9)7(3-6)13(10,11)12/h1-3H,(H2,10,11,12)
InChIKeyWRLACKZDIZSPNI-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

azane;2-cyano-5-hydroxybenzenesulfonamide
CID 174596934
2,4-bis(3-chlorophenoxy)-5-cyanobenzenesulfonamide
CID 21487309
N-(3-aminopropyl)-5-chloro-2-cyano-N-methylbenzenesulfonamide
CID 113285759
N-(3-amino-4-fluorophenyl)-5-chloro-2-cyanobenzenesulfonamide
CID 43604886
4-chloro-2-cyanobenzenesulfonyl fluoride
CID 122236117
5-chloro-N-(2-chloroprop-2-enyl)-2-cyanobenzenesulfonamide
CID 115753553
5-chloro-2-cyano-N-(3-hydroxypropyl)benzenesulfonamide
CID 43501464
5-chloro-2-cyano-N-ethyl-N-(2-hydroxyethyl)benzenesulfonamide
CID 54879174
5-chloro-2-cyano-N-(2-hydroxy-2-methylpropyl)-N-methylbenzenesulfonamide
CID 79387594
2-bromo-4-chlorobenzenesulfonamide
CID 79018093
5-chloro-2-cyano-N-(3-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65034730
5-chloro-2-cyano-N-(2-ethyl-2-hydroxybutyl)benzenesulfonamide
CID 65113139

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyanobenzenesulfonamide?
The IUPAC name of 5-chloro-2-cyanobenzenesulfonamide (CID 43243622) is 5-chloro-2-cyanobenzenesulfonamide.
What is the SMILES notation for 5-chloro-2-cyanobenzenesulfonamide?
The canonical SMILES for 5-chloro-2-cyanobenzenesulfonamide is N#Cc1ccc(Cl)cc1S(N)(=O)=O.
What is the InChIKey of 5-chloro-2-cyanobenzenesulfonamide?
The InChIKey is WRLACKZDIZSPNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5ClN2O2S/c8-6-2-1-5(4-9)7(3-6)13(10,11)12/h1-3H,(H2,10,11,12).
What are the key properties of 5-chloro-2-cyanobenzenesulfonamide?
5-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 5-chloro-2-cyanobenzenesulfonamide is sourced from PubChem (CID 43243622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).