5-chloro-2-cyanobenzenesulfonyl chloride

C7H3Cl2NO2S — CID 16792538

IUPAC5-chloro-2-cyanobenzenesulfonyl chloride
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H3Cl2NO2S/c8-6-2-1-5(4-10)7(3-6)13(9,11)12/h1-3H
InChIKeyPHNDFODTTWOSSX-UHFFFAOYSA-N
MW236.08 g/mol
LogP2.14
Rot. Bonds1

About 5-chloro-2-cyanobenzenesulfonyl chloride

5-chloro-2-cyanobenzenesulfonyl chloride (PubChem CID 16792538) has the molecular formula C7H3Cl2NO2S and a molecular weight of 236.08 g/mol. Its IUPAC name is 5-chloro-2-cyanobenzenesulfonyl chloride.

Molecular Properties

Compound Name5-chloro-2-cyanobenzenesulfonyl chloride
PubChem CID16792538
Molecular FormulaC7H3Cl2NO2S
Molecular Weight236.08 g/mol
Exact Mass234.93
IUPAC Name5-chloro-2-cyanobenzenesulfonyl chloride
SMILESN#Cc1ccc(Cl)cc1S(=O)(=O)Cl
InChIInChI=1S/C7H3Cl2NO2S/c8-6-2-1-5(4-10)7(3-6)13(9,11)12/h1-3H
InChIKeyPHNDFODTTWOSSX-UHFFFAOYSA-N
XLogP2.14
TPSA57.93 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.08
LogP ≤ 52.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-cyanobenzenesulfonyl chloride?
The IUPAC name of 5-chloro-2-cyanobenzenesulfonyl chloride (CID 16792538) is 5-chloro-2-cyanobenzenesulfonyl chloride.
What is the SMILES notation for 5-chloro-2-cyanobenzenesulfonyl chloride?
The canonical SMILES for 5-chloro-2-cyanobenzenesulfonyl chloride is N#Cc1ccc(Cl)cc1S(=O)(=O)Cl.
What is the InChIKey of 5-chloro-2-cyanobenzenesulfonyl chloride?
The InChIKey is PHNDFODTTWOSSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2NO2S/c8-6-2-1-5(4-10)7(3-6)13(9,11)12/h1-3H.
What are the key properties of 5-chloro-2-cyanobenzenesulfonyl chloride?
5-chloro-2-cyanobenzenesulfonyl chloride has a molecular weight of 236.08 g/mol, XLogP of 2.14, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-cyanobenzenesulfonyl chloride is sourced from PubChem (CID 16792538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).