5-(3,4-dimethylphenyl)-2-methylbenzenesulfonyl chloride

C15H15ClO2S — CID 82307954

IUPAC5-(3,4-dimethylphenyl)-2-methylbenzenesulfonyl chloride
SMILESCc1ccc(-c2ccc(C)c(S(=O)(=O)Cl)c2)cc1C
InChIInChI=1S/C15H15ClO2S/c1-10-4-6-13(8-12(10)3)14-7-5-11(2)15(9-14)19(16,17)18/h4-9H,1-3H3
InChIKeyKVMQBNWOUZPWBV-UHFFFAOYSA-N
MW294.80 g/mol
LogP4.21
Rot. Bonds2

About 5-(3,4-dimethylphenyl)-2-methylbenzenesulfonyl chloride

5-(3,4-dimethylphenyl)-2-methylbenzenesulfonyl chloride (PubChem CID 82307954) has the molecular formula C15H15ClO2S and a molecular weight of 294.80 g/mol. Its IUPAC name is 5-(3,4-dimethylphenyl)-2-methylbenzenesulfonyl chloride.

Molecular Properties

Compound Name5-(3,4-dimethylphenyl)-2-methylbenzenesulfonyl chloride
PubChem CID82307954
Molecular FormulaC15H15ClO2S
Molecular Weight294.80 g/mol
Exact Mass294.05
IUPAC Name5-(3,4-dimethylphenyl)-2-methylbenzenesulfonyl chloride
SMILESCc1ccc(-c2ccc(C)c(S(=O)(=O)Cl)c2)cc1C
InChIInChI=1S/C15H15ClO2S/c1-10-4-6-13(8-12(10)3)14-7-5-11(2)15(9-14)19(16,17)18/h4-9H,1-3H3
InChIKeyKVMQBNWOUZPWBV-UHFFFAOYSA-N
XLogP4.21
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.80
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,5-dimethylphenyl)-2-methylbenzenesulfonyl chloride
CID 82307949
5-(4-fluorophenyl)-2-methylbenzenesulfonyl chloride
CID 82307551
4-(4-chlorosulfonyl-3-methylphenyl)-2-methylbenzenesulfonyl chloride
CID 23452824
5-(2-chlorophenyl)-2-methylbenzenesulfonyl chloride
CID 82308432
5-(3,4-dimethyl-1,2-oxazol-5-yl)-2-methylbenzenesulfonyl chloride
CID 53212007
2-methyl-5-nitrobenzenesulfonyl chloride
CID 8457
4-(3,4-dimethylphenyl)-2-ethyl-1-methylbenzene
CID 123136977
2-methyl-5-(methylsulfamoyl)benzenesulfonyl chloride
CID 43469166
1,2-dimethyl-4-[4-(4-methylphenyl)phenyl]benzene
CID 20704293
2-methyl-5-nitrobenzenesulfonamide;2-methyl-5-nitrobenzenesulfonyl chloride
CID 159304937
4-(3,4-dimethylphenyl)-1,2-dimethylbenzene;1,2,4,5-tetramethylbenzene;2,3,6,7-tetramethylnaphthalene
CID 159618631
4-methyl-3-(4-methylphenyl)sulfonylbenzenesulfonyl chloride
CID 54521473

Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dimethylphenyl)-2-methylbenzenesulfonyl chloride?
The IUPAC name of 5-(3,4-dimethylphenyl)-2-methylbenzenesulfonyl chloride (CID 82307954) is 5-(3,4-dimethylphenyl)-2-methylbenzenesulfonyl chloride.
What is the SMILES notation for 5-(3,4-dimethylphenyl)-2-methylbenzenesulfonyl chloride?
The canonical SMILES for 5-(3,4-dimethylphenyl)-2-methylbenzenesulfonyl chloride is Cc1ccc(-c2ccc(C)c(S(=O)(=O)Cl)c2)cc1C.
What is the InChIKey of 5-(3,4-dimethylphenyl)-2-methylbenzenesulfonyl chloride?
The InChIKey is KVMQBNWOUZPWBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15ClO2S/c1-10-4-6-13(8-12(10)3)14-7-5-11(2)15(9-14)19(16,17)18/h4-9H,1-3H3.
What are the key properties of 5-(3,4-dimethylphenyl)-2-methylbenzenesulfonyl chloride?
5-(3,4-dimethylphenyl)-2-methylbenzenesulfonyl chloride has a molecular weight of 294.80 g/mol, XLogP of 4.21, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dimethylphenyl)-2-methylbenzenesulfonyl chloride is sourced from PubChem (CID 82307954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).