4-chloro-2-methoxybenzenesulfonyl chloride

C7H6Cl2O3S — CID 15725376

IUPAC4-chloro-2-methoxybenzenesulfonyl chloride
SMILESCOc1cc(Cl)ccc1S(=O)(=O)Cl
InChIInChI=1S/C7H6Cl2O3S/c1-12-6-4-5(8)2-3-7(6)13(9,10)11/h2-4H,1H3
InChIKeyJIFZOSWXWRNSFB-UHFFFAOYSA-N
MW241.09 g/mol
LogP2.28
Rot. Bonds2

About 4-chloro-2-methoxybenzenesulfonyl chloride

4-chloro-2-methoxybenzenesulfonyl chloride (PubChem CID 15725376) has the molecular formula C7H6Cl2O3S and a molecular weight of 241.09 g/mol. Its IUPAC name is 4-chloro-2-methoxybenzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-2-methoxybenzenesulfonyl chloride
PubChem CID15725376
Molecular FormulaC7H6Cl2O3S
Molecular Weight241.09 g/mol
Exact Mass239.94
IUPAC Name4-chloro-2-methoxybenzenesulfonyl chloride
SMILESCOc1cc(Cl)ccc1S(=O)(=O)Cl
InChIInChI=1S/C7H6Cl2O3S/c1-12-6-4-5(8)2-3-7(6)13(9,10)11/h2-4H,1H3
InChIKeyJIFZOSWXWRNSFB-UHFFFAOYSA-N
XLogP2.28
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.09
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-chloro-2-methoxybenzenesulfonyl 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

4-chloro-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 43501996
4-chloro-N,N-bis(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 61233833
(4-chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 84708491
4-chloro-N-(3-hydroxypropyl)-2-methoxybenzenesulfonamide
CID 43501480
4-(cyclopropylsulfonylamino)-2-methoxybenzenesulfonyl chloride
CID 64552204
methyl 5-chloro-2-methoxybenzenesulfonate
CID 89056294
4-(dimethylcarbamoyl)-2-methoxybenzenesulfonyl chloride
CID 79770004
4-chloro-N-ethyl-N-(2-hydroxyethyl)-2-methoxybenzenesulfonamide
CID 54879156
2-(4-chloro-2-methoxyphenyl)ethanesulfonyl chloride
CID 83742577
4-chloro-N-(4-ethylphenyl)-2-methoxybenzenesulfonamide
CID 976918
methyl 2-[(4-chloro-2-methoxyphenyl)sulfonyl-methylamino]acetate
CID 43422565
4-chloro-2-methoxy-N-(1-phenylethyl)benzenesulfonamide
CID 50876121

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxybenzenesulfonyl chloride?
The IUPAC name of 4-chloro-2-methoxybenzenesulfonyl chloride (CID 15725376) is 4-chloro-2-methoxybenzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-2-methoxybenzenesulfonyl chloride?
The canonical SMILES for 4-chloro-2-methoxybenzenesulfonyl chloride is COc1cc(Cl)ccc1S(=O)(=O)Cl.
What is the InChIKey of 4-chloro-2-methoxybenzenesulfonyl chloride?
The InChIKey is JIFZOSWXWRNSFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6Cl2O3S/c1-12-6-4-5(8)2-3-7(6)13(9,10)11/h2-4H,1H3.
What are the key properties of 4-chloro-2-methoxybenzenesulfonyl chloride?
4-chloro-2-methoxybenzenesulfonyl chloride has a molecular weight of 241.09 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxybenzenesulfonyl chloride is sourced from PubChem (CID 15725376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).