2,4-dicyanobenzenesulfonyl chloride

C8H3ClN2O2S — CID 19612240

IUPAC2,4-dicyanobenzenesulfonyl chloride
SMILESN#Cc1ccc(S(=O)(=O)Cl)c(C#N)c1
InChIInChI=1S/C8H3ClN2O2S/c9-14(12,13)8-2-1-6(4-10)3-7(8)5-11/h1-3H
InChIKeyRJKKEYZJKYJWHI-UHFFFAOYSA-N
MW226.64 g/mol
LogP1.36
Rot. Bonds1

About 2,4-dicyanobenzenesulfonyl chloride

2,4-dicyanobenzenesulfonyl chloride (PubChem CID 19612240) has the molecular formula C8H3ClN2O2S and a molecular weight of 226.64 g/mol. Its IUPAC name is 2,4-dicyanobenzenesulfonyl chloride.

Molecular Properties

Compound Name2,4-dicyanobenzenesulfonyl chloride
PubChem CID19612240
Molecular FormulaC8H3ClN2O2S
Molecular Weight226.64 g/mol
Exact Mass225.96
IUPAC Name2,4-dicyanobenzenesulfonyl chloride
SMILESN#Cc1ccc(S(=O)(=O)Cl)c(C#N)c1
InChIInChI=1S/C8H3ClN2O2S/c9-14(12,13)8-2-1-6(4-10)3-7(8)5-11/h1-3H
InChIKeyRJKKEYZJKYJWHI-UHFFFAOYSA-N
XLogP1.36
TPSA81.72 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.64
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2,4-dicyanobenzenesulfonyl chloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2,4-dicyanobenzenesulfonyl chloride?
The IUPAC name of 2,4-dicyanobenzenesulfonyl chloride (CID 19612240) is 2,4-dicyanobenzenesulfonyl chloride.
What is the SMILES notation for 2,4-dicyanobenzenesulfonyl chloride?
The canonical SMILES for 2,4-dicyanobenzenesulfonyl chloride is N#Cc1ccc(S(=O)(=O)Cl)c(C#N)c1.
What is the InChIKey of 2,4-dicyanobenzenesulfonyl chloride?
The InChIKey is RJKKEYZJKYJWHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H3ClN2O2S/c9-14(12,13)8-2-1-6(4-10)3-7(8)5-11/h1-3H.
What are the key properties of 2,4-dicyanobenzenesulfonyl chloride?
2,4-dicyanobenzenesulfonyl chloride has a molecular weight of 226.64 g/mol, XLogP of 1.36, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dicyanobenzenesulfonyl chloride is sourced from PubChem (CID 19612240), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).