2-(4-chloro-2-methoxyphenyl)ethanesulfonyl chloride

C9H10Cl2O3S — CID 83742577

IUPAC2-(4-chloro-2-methoxyphenyl)ethanesulfonyl chloride
SMILESCOc1cc(Cl)ccc1CCS(=O)(=O)Cl
InChIInChI=1S/C9H10Cl2O3S/c1-14-9-6-8(10)3-2-7(9)4-5-15(11,12)13/h2-3,6H,4-5H2,1H3
InChIKeySLSARGOGUFEMEN-UHFFFAOYSA-N
MW269.15 g/mol
LogP2.46
Rot. Bonds4

About 2-(4-chloro-2-methoxyphenyl)ethanesulfonyl chloride

2-(4-chloro-2-methoxyphenyl)ethanesulfonyl chloride (PubChem CID 83742577) has the molecular formula C9H10Cl2O3S and a molecular weight of 269.15 g/mol. Its IUPAC name is 2-(4-chloro-2-methoxyphenyl)ethanesulfonyl chloride.

Molecular Properties

Compound Name2-(4-chloro-2-methoxyphenyl)ethanesulfonyl chloride
PubChem CID83742577
Molecular FormulaC9H10Cl2O3S
Molecular Weight269.15 g/mol
Exact Mass267.97
IUPAC Name2-(4-chloro-2-methoxyphenyl)ethanesulfonyl chloride
SMILESCOc1cc(Cl)ccc1CCS(=O)(=O)Cl
InChIInChI=1S/C9H10Cl2O3S/c1-14-9-6-8(10)3-2-7(9)4-5-15(11,12)13/h2-3,6H,4-5H2,1H3
InChIKeySLSARGOGUFEMEN-UHFFFAOYSA-N
XLogP2.46
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.15
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methoxy-4-methylphenyl)ethanesulfonyl chloride
CID 83726090
(4-chloro-2-methoxyphenyl)methanesulfonyl chloride
CID 84708491
2-(5-chloro-2-fluorophenyl)ethanesulfonyl chloride
CID 82482802
4-(4-chloro-2-methoxyphenyl)butan-1-ol
CID 59192502
2-(6-methoxy-2,3-dihydro-1H-inden-5-yl)ethanesulfonyl chloride
CID 84713994
4-chloro-2-methoxybenzenesulfonyl chloride
CID 15725376
2-(3-chloro-4-fluoro-2-methylphenyl)ethanesulfonyl chloride
CID 84809280
1-[2-(4-chloro-2-methoxyphenyl)ethyl]cyclopropan-1-amine
CID 105483503
2-(2-fluoro-3-methoxy-5-methylphenyl)ethanesulfonyl chloride
CID 84711712
4-chloro-1-(isocyanomethyl)-2-methoxybenzene
CID 83482535
2-(4-methoxy-2-methylsulfanylphenyl)ethanesulfonyl chloride
CID 84811999
2-(5-chloro-2-methoxyphenyl)ethyl methanesulfonate
CID 118084157

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methoxyphenyl)ethanesulfonyl chloride?
The IUPAC name of 2-(4-chloro-2-methoxyphenyl)ethanesulfonyl chloride (CID 83742577) is 2-(4-chloro-2-methoxyphenyl)ethanesulfonyl chloride.
What is the SMILES notation for 2-(4-chloro-2-methoxyphenyl)ethanesulfonyl chloride?
The canonical SMILES for 2-(4-chloro-2-methoxyphenyl)ethanesulfonyl chloride is COc1cc(Cl)ccc1CCS(=O)(=O)Cl.
What is the InChIKey of 2-(4-chloro-2-methoxyphenyl)ethanesulfonyl chloride?
The InChIKey is SLSARGOGUFEMEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2O3S/c1-14-9-6-8(10)3-2-7(9)4-5-15(11,12)13/h2-3,6H,4-5H2,1H3.
What are the key properties of 2-(4-chloro-2-methoxyphenyl)ethanesulfonyl chloride?
2-(4-chloro-2-methoxyphenyl)ethanesulfonyl chloride has a molecular weight of 269.15 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methoxyphenyl)ethanesulfonyl chloride is sourced from PubChem (CID 83742577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).