3-methyl-4-(2-methylphenyl)benzenesulfonyl chloride

C14H13ClO2S — CID 82307263

IUPAC3-methyl-4-(2-methylphenyl)benzenesulfonyl chloride
SMILESCc1ccccc1-c1ccc(S(=O)(=O)Cl)cc1C
InChIInChI=1S/C14H13ClO2S/c1-10-5-3-4-6-13(10)14-8-7-12(9-11(14)2)18(15,16)17/h3-9H,1-2H3
InChIKeyYUNDZRFDMRRLKF-UHFFFAOYSA-N
MW280.78 g/mol
LogP3.90
Rot. Bonds2

About 3-methyl-4-(2-methylphenyl)benzenesulfonyl chloride

3-methyl-4-(2-methylphenyl)benzenesulfonyl chloride (PubChem CID 82307263) has the molecular formula C14H13ClO2S and a molecular weight of 280.78 g/mol. Its IUPAC name is 3-methyl-4-(2-methylphenyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name3-methyl-4-(2-methylphenyl)benzenesulfonyl chloride
PubChem CID82307263
Molecular FormulaC14H13ClO2S
Molecular Weight280.78 g/mol
Exact Mass280.03
IUPAC Name3-methyl-4-(2-methylphenyl)benzenesulfonyl chloride
SMILESCc1ccccc1-c1ccc(S(=O)(=O)Cl)cc1C
InChIInChI=1S/C14H13ClO2S/c1-10-5-3-4-6-13(10)14-8-7-12(9-11(14)2)18(15,16)17/h3-9H,1-2H3
InChIKeyYUNDZRFDMRRLKF-UHFFFAOYSA-N
XLogP3.90
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.78
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

3-fluoro-4-(2-methylphenyl)benzenesulfonyl chloride
CID 115059706
3-ethyl-4-(2-methylphenyl)benzenesulfonyl chloride
CID 87181195
4-(4-fluorophenyl)-3-methylbenzenesulfonyl chloride
CID 82307548
3-(2-methoxyphenyl)-4-methylbenzenesulfonyl chloride
CID 82308085
3-hydroxy-4-(2-hydroxyphenyl)benzenesulfonyl chloride
CID 115059723
2-(2-methylphenyl)-1,3-benzoxazole-6-sulfonyl chloride
CID 82358041
4-chloro-2-methyl-1-(2-methylphenyl)benzene
CID 70849207
5-methylnaphthalene-2-sulfonyl chloride
CID 55280265
3-methyl-4-sulfamoylbenzenesulfonyl chloride
CID 63179688
3-chloro-4-(2-hydroxyphenyl)benzenesulfonyl chloride
CID 115059720
3-hydroxy-4-methylbenzenesulfonyl chloride
CID 55279954
3-ethyl-4-phenylbenzenesulfonyl chloride
CID 87181125

Frequently Asked Questions

What is the IUPAC name of 3-methyl-4-(2-methylphenyl)benzenesulfonyl chloride?
The IUPAC name of 3-methyl-4-(2-methylphenyl)benzenesulfonyl chloride (CID 82307263) is 3-methyl-4-(2-methylphenyl)benzenesulfonyl chloride.
What is the SMILES notation for 3-methyl-4-(2-methylphenyl)benzenesulfonyl chloride?
The canonical SMILES for 3-methyl-4-(2-methylphenyl)benzenesulfonyl chloride is Cc1ccccc1-c1ccc(S(=O)(=O)Cl)cc1C.
What is the InChIKey of 3-methyl-4-(2-methylphenyl)benzenesulfonyl chloride?
The InChIKey is YUNDZRFDMRRLKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClO2S/c1-10-5-3-4-6-13(10)14-8-7-12(9-11(14)2)18(15,16)17/h3-9H,1-2H3.
What are the key properties of 3-methyl-4-(2-methylphenyl)benzenesulfonyl chloride?
3-methyl-4-(2-methylphenyl)benzenesulfonyl chloride has a molecular weight of 280.78 g/mol, XLogP of 3.90, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-4-(2-methylphenyl)benzenesulfonyl chloride is sourced from PubChem (CID 82307263), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).