4-chloro-3-cyanobenzenesulfonyl chloride

C7H3Cl2NO2S — CID 18072853

IUPAC4-chloro-3-cyanobenzenesulfonyl chloride
SMILESN#Cc1cc(S(=O)(=O)Cl)ccc1Cl
InChIInChI=1S/C7H3Cl2NO2S/c8-7-2-1-6(13(9,11)12)3-5(7)4-10/h1-3H
InChIKeySOQHHZHDKJUUDQ-UHFFFAOYSA-N
MW236.08 g/mol
LogP2.14
Rot. Bonds1

About 4-chloro-3-cyanobenzenesulfonyl chloride

4-chloro-3-cyanobenzenesulfonyl chloride (PubChem CID 18072853) has the molecular formula C7H3Cl2NO2S and a molecular weight of 236.08 g/mol. Its IUPAC name is 4-chloro-3-cyanobenzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-3-cyanobenzenesulfonyl chloride
PubChem CID18072853
Molecular FormulaC7H3Cl2NO2S
Molecular Weight236.08 g/mol
Exact Mass234.93
IUPAC Name4-chloro-3-cyanobenzenesulfonyl chloride
SMILESN#Cc1cc(S(=O)(=O)Cl)ccc1Cl
InChIInChI=1S/C7H3Cl2NO2S/c8-7-2-1-6(13(9,11)12)3-5(7)4-10/h1-3H
InChIKeySOQHHZHDKJUUDQ-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 4-chloro-3-cyanobenzenesulfonyl chloride?
The IUPAC name of 4-chloro-3-cyanobenzenesulfonyl chloride (CID 18072853) is 4-chloro-3-cyanobenzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-3-cyanobenzenesulfonyl chloride?
The canonical SMILES for 4-chloro-3-cyanobenzenesulfonyl chloride is N#Cc1cc(S(=O)(=O)Cl)ccc1Cl.
What is the InChIKey of 4-chloro-3-cyanobenzenesulfonyl chloride?
The InChIKey is SOQHHZHDKJUUDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H3Cl2NO2S/c8-7-2-1-6(13(9,11)12)3-5(7)4-10/h1-3H.
What are the key properties of 4-chloro-3-cyanobenzenesulfonyl chloride?
4-chloro-3-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 4-chloro-3-cyanobenzenesulfonyl chloride is sourced from PubChem (CID 18072853), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).