4-chloro-2-methoxy-3-methylbenzenesulfonyl chloride

C8H8Cl2O3S — CID 18782243

IUPAC4-chloro-2-methoxy-3-methylbenzenesulfonyl chloride
SMILESCOc1c(S(=O)(=O)Cl)ccc(Cl)c1C
InChIInChI=1S/C8H8Cl2O3S/c1-5-6(9)3-4-7(8(5)13-2)14(10,11)12/h3-4H,1-2H3
InChIKeyRFZZPOJHTKJAMF-UHFFFAOYSA-N
MW255.12 g/mol
LogP2.58
Rot. Bonds2

About 4-chloro-2-methoxy-3-methylbenzenesulfonyl chloride

4-chloro-2-methoxy-3-methylbenzenesulfonyl chloride (PubChem CID 18782243) has the molecular formula C8H8Cl2O3S and a molecular weight of 255.12 g/mol. Its IUPAC name is 4-chloro-2-methoxy-3-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name4-chloro-2-methoxy-3-methylbenzenesulfonyl chloride
PubChem CID18782243
Molecular FormulaC8H8Cl2O3S
Molecular Weight255.12 g/mol
Exact Mass253.96
IUPAC Name4-chloro-2-methoxy-3-methylbenzenesulfonyl chloride
SMILESCOc1c(S(=O)(=O)Cl)ccc(Cl)c1C
InChIInChI=1S/C8H8Cl2O3S/c1-5-6(9)3-4-7(8(5)13-2)14(10,11)12/h3-4H,1-2H3
InChIKeyRFZZPOJHTKJAMF-UHFFFAOYSA-N
XLogP2.58
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.12
LogP ≤ 52.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-Methoxy-3-methylbenzene-1-sulfonyl chloride
CID 22000404
5-Chloro-4,4-difluoro-2,3-dihydrochromene-8-sulfonyl chloride
CID 132203079
5-chloro-4-(trifluoromethyl)-3,4-dihydro-2H-chromene-8-sulfonyl chloride
CID 174946790
5-Chloro-2-methoxy-3-methylbenzenesulfonyl fluoride
CID 82292288
(6-Chloro-3-fluoro-2-methoxyphenyl)methanesulfonyl chloride
CID 84713479
2-Chloro-3-fluoro-6-methoxy-5-methylbenzenesulfonyl chloride
CID 84713480
5-Chloro-4-fluoro-2-methoxy-3-methylbenzenesulfonyl chloride
CID 84713481
2-Chloro-5-fluoro-6-methoxy-3-methylbenzenesulfonyl chloride
CID 84809936
4-Chloro-3-cyano-2-(trifluoromethoxy)benzene-1-sulfonyl chloride
CID 118799882
2-(2-Chloro-6-methoxyphenyl)ethane-1-sulfonyl fluoride
CID 164663867
2-Chloro-4-methoxy-3-methylbenzene-1-sulfonyl fluoride
CID 165459302
(2-Chloro-6-methoxyphenyl)methanesulfonyl fluoride
CID 165505559

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-methoxy-3-methylbenzenesulfonyl chloride?
The IUPAC name of 4-chloro-2-methoxy-3-methylbenzenesulfonyl chloride (CID 18782243) is 4-chloro-2-methoxy-3-methylbenzenesulfonyl chloride.
What is the SMILES notation for 4-chloro-2-methoxy-3-methylbenzenesulfonyl chloride?
The canonical SMILES for 4-chloro-2-methoxy-3-methylbenzenesulfonyl chloride is COc1c(S(=O)(=O)Cl)ccc(Cl)c1C.
What is the InChIKey of 4-chloro-2-methoxy-3-methylbenzenesulfonyl chloride?
The InChIKey is RFZZPOJHTKJAMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl2O3S/c1-5-6(9)3-4-7(8(5)13-2)14(10,11)12/h3-4H,1-2H3.
What are the key properties of 4-chloro-2-methoxy-3-methylbenzenesulfonyl chloride?
4-chloro-2-methoxy-3-methylbenzenesulfonyl chloride has a molecular weight of 255.12 g/mol, XLogP of 2.58, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-methoxy-3-methylbenzenesulfonyl chloride is sourced from PubChem (CID 18782243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).