3-(2-methoxyphenyl)-4-methylbenzenesulfonyl chloride

C14H13ClO3S — CID 82308085

IUPAC3-(2-methoxyphenyl)-4-methylbenzenesulfonyl chloride
SMILESCOc1ccccc1-c1cc(S(=O)(=O)Cl)ccc1C
InChIInChI=1S/C14H13ClO3S/c1-10-7-8-11(19(15,16)17)9-13(10)12-5-3-4-6-14(12)18-2/h3-9H,1-2H3
InChIKeyYOQSAQJQPLSDSO-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.60
Rot. Bonds3

About 3-(2-methoxyphenyl)-4-methylbenzenesulfonyl chloride

3-(2-methoxyphenyl)-4-methylbenzenesulfonyl chloride (PubChem CID 82308085) has the molecular formula C14H13ClO3S and a molecular weight of 296.78 g/mol. Its IUPAC name is 3-(2-methoxyphenyl)-4-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name3-(2-methoxyphenyl)-4-methylbenzenesulfonyl chloride
PubChem CID82308085
Molecular FormulaC14H13ClO3S
Molecular Weight296.78 g/mol
Exact Mass296.03
IUPAC Name3-(2-methoxyphenyl)-4-methylbenzenesulfonyl chloride
SMILESCOc1ccccc1-c1cc(S(=O)(=O)Cl)ccc1C
InChIInChI=1S/C14H13ClO3S/c1-10-7-8-11(19(15,16)17)9-13(10)12-5-3-4-6-14(12)18-2/h3-9H,1-2H3
InChIKeyYOQSAQJQPLSDSO-UHFFFAOYSA-N
XLogP3.60
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-methyl-4-(2-methylphenyl)benzenesulfonyl chloride
CID 82307263
2-(2-methoxyphenyl)-1-methyl-4-nitrobenzene
CID 11550497
3-methoxy-4-phenylbenzenesulfonyl chloride
CID 115059705
3-fluoro-4-(2-methylphenyl)benzenesulfonyl chloride
CID 115059706
3-ethyl-4-(2-methylphenyl)benzenesulfonyl chloride
CID 87181195
6,7-dimethoxynaphthalene-2-sulfonyl chloride
CID 14457754
3-iodo-4-methoxybenzenesulfonyl chloride
CID 4961876
4-(2-methoxyphenyl)-2,5-dimethylpyridine
CID 155353771
3-hydroxy-4-methylbenzenesulfonyl chloride
CID 55279954
4-methoxy-2,5-bis(2-methylphenyl)benzenesulfonate
CID 22306867
sodium 4-methoxy-3-methylazulene-1-sulfonate
CID 23690666
3-acetyl-4-methoxybenzenesulfonyl chloride
CID 15579448

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyphenyl)-4-methylbenzenesulfonyl chloride?
The IUPAC name of 3-(2-methoxyphenyl)-4-methylbenzenesulfonyl chloride (CID 82308085) is 3-(2-methoxyphenyl)-4-methylbenzenesulfonyl chloride.
What is the SMILES notation for 3-(2-methoxyphenyl)-4-methylbenzenesulfonyl chloride?
The canonical SMILES for 3-(2-methoxyphenyl)-4-methylbenzenesulfonyl chloride is COc1ccccc1-c1cc(S(=O)(=O)Cl)ccc1C.
What is the InChIKey of 3-(2-methoxyphenyl)-4-methylbenzenesulfonyl chloride?
The InChIKey is YOQSAQJQPLSDSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO3S/c1-10-7-8-11(19(15,16)17)9-13(10)12-5-3-4-6-14(12)18-2/h3-9H,1-2H3.
What are the key properties of 3-(2-methoxyphenyl)-4-methylbenzenesulfonyl chloride?
3-(2-methoxyphenyl)-4-methylbenzenesulfonyl chloride has a molecular weight of 296.78 g/mol, XLogP of 3.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyphenyl)-4-methylbenzenesulfonyl chloride is sourced from PubChem (CID 82308085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).