2-Chloro-3-methylbenzenesulfonyl chloride

C7H6Cl2O2S — CID 23126432

IUPAC2-chloro-3-methylbenzenesulfonyl chloride
SMILESCC1=C(C(=CC=C1)S(=O)(=O)Cl)Cl
InChIInChI=1S/C7H6Cl2O2S/c1-5-3-2-4-6(7(5)8)12(9,10)11/h2-4H,1H3
InChIKeyIAKXJOYJKYIHFR-UHFFFAOYSA-N
MW225.09 g/mol
LogP2.90
Rot. Bonds1

About 2-Chloro-3-methylbenzenesulfonyl chloride

2-Chloro-3-methylbenzenesulfonyl chloride (PubChem CID 23126432) has the molecular formula C7H6Cl2O2S and a molecular weight of 225.09 g/mol. Its IUPAC name is 2-chloro-3-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name2-Chloro-3-methylbenzenesulfonyl chloride
PubChem CID23126432
Molecular FormulaC7H6Cl2O2S
Molecular Weight225.09 g/mol
Exact Mass223.95
IUPAC Name2-chloro-3-methylbenzenesulfonyl chloride
SMILESCC1=C(C(=CC=C1)S(=O)(=O)Cl)Cl
InChIInChI=1S/C7H6Cl2O2S/c1-5-3-2-4-6(7(5)8)12(9,10)11/h2-4H,1H3
InChIKeyIAKXJOYJKYIHFR-UHFFFAOYSA-N
XLogP2.90
TPSA42.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity245

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.09
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-Chloro-3-methylbenzenesulfonyl chloride with MolForge

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

Launch Full Analysis

Related Compounds

2-Chlorotoluene-4-sulphonic acid
CID 66815
2,4-Dichloro-5-methylbenzene-1-sulphonyl chloride
CID 119914
2-Chloro-4-methylbenzene-1-sulfonyl chloride
CID 289081
3-Chloro-2-methylbenzenesulfonyl chloride
CID 522734
(2-Chlorophenyl)methanesulfonyl chloride
CID 2757801
2-Chloro-p-toluenesulfochloride
CID 259744
4-Chloro-3-methylbenzene-1-sulfonyl chloride
CID 221001
2-Chloro-5-(trifluoromethyl)benzene-1-sulfonyl chloride
CID 2734274
4-Chloro-3-(trifluoromethyl)benzenesulfonyl Chloride
CID 2780719
2-Chloro-6-methylbenzene-1-sulfonyl chloride
CID 15725370
4-Chloro-m-toluenesulfonamide
CID 222557
2,4-Dichloro-5-methylbenzenesulfonamide
CID 2799397

Frequently Asked Questions

What is the IUPAC name of 2-Chloro-3-methylbenzenesulfonyl chloride?
The IUPAC name of 2-Chloro-3-methylbenzenesulfonyl chloride (CID 23126432) is 2-chloro-3-methylbenzenesulfonyl chloride.
What is the SMILES notation for 2-Chloro-3-methylbenzenesulfonyl chloride?
The canonical SMILES for 2-Chloro-3-methylbenzenesulfonyl chloride is CC1=C(C(=CC=C1)S(=O)(=O)Cl)Cl.
What is the InChIKey of 2-Chloro-3-methylbenzenesulfonyl chloride?
The InChIKey is IAKXJOYJKYIHFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2O2S/c1-5-3-2-4-6(7(5)8)12(9,10)11/h2-4H,1H3.
What are the key properties of 2-Chloro-3-methylbenzenesulfonyl chloride?
2-Chloro-3-methylbenzenesulfonyl chloride has a molecular weight of 225.09 g/mol, XLogP of 2.90, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-Chloro-3-methylbenzenesulfonyl chloride is sourced from PubChem (CID 23126432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).