(2-chloro-4-methylsulfonylphenyl)-(2-methylphenyl)methanone

C15H13ClO3S — CID 174297294

IUPAC(2-chloro-4-methylsulfonylphenyl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc(S(C)(=O)=O)cc1Cl
InChIInChI=1S/C15H13ClO3S/c1-10-5-3-4-6-12(10)15(17)13-8-7-11(9-14(13)16)20(2,18)19/h3-9H,1-2H3
InChIKeyAZXGWUFPJXJGMU-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.28
Rot. Bonds3

About (2-chloro-4-methylsulfonylphenyl)-(2-methylphenyl)methanone

(2-chloro-4-methylsulfonylphenyl)-(2-methylphenyl)methanone (PubChem CID 174297294) has the molecular formula C15H13ClO3S and a molecular weight of 308.79 g/mol. Its IUPAC name is (2-chloro-4-methylsulfonylphenyl)-(2-methylphenyl)methanone.

Molecular Properties

Compound Name(2-chloro-4-methylsulfonylphenyl)-(2-methylphenyl)methanone
PubChem CID174297294
Molecular FormulaC15H13ClO3S
Molecular Weight308.79 g/mol
Exact Mass308.03
IUPAC Name(2-chloro-4-methylsulfonylphenyl)-(2-methylphenyl)methanone
SMILESCc1ccccc1C(=O)c1ccc(S(C)(=O)=O)cc1Cl
InChIInChI=1S/C15H13ClO3S/c1-10-5-3-4-6-12(10)15(17)13-8-7-11(9-14(13)16)20(2,18)19/h3-9H,1-2H3
InChIKeyAZXGWUFPJXJGMU-UHFFFAOYSA-N
XLogP3.28
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

bis(2-methyl-4-methylsulfonylphenyl)methanone
CID 141299848
[2-(2-methylbenzoyl)phenyl]-(2-methylphenyl)methanone
CID 15597717
(2-chloro-4-methylsulfonylphenyl)-(2-hydroxy-3,4-dimethoxyphenyl)methanone
CID 57016786
(2-chlorophenyl)-(4-hydroxy-2-methylphenyl)methanone
CID 86254780
[4-(4-bromoanilino)-2-chlorophenyl]-(2-methylphenyl)methanone
CID 10201018
2-chloro-4-methylsulfonyl-N-(2-phenylacetyl)benzamide
CID 174982154
[2-chloro-4-(3-phenylanilino)phenyl]-(2-methylphenyl)methanone
CID 10111445
(2,6-dichlorophenyl) 2-methyl-5-methylsulfonylbenzoate
CID 86975445
[2-chloro-4-(3-nitroanilino)phenyl]-(2-methylphenyl)methanone
CID 11349130
[2-chloro-4-[2-(difluoromethyl)anilino]phenyl]-(2-methylphenyl)methanone
CID 22174560
(4-bromo-2-methylphenyl)-(2-methylphenyl)methanone
CID 11150419
(5-chloro-2-hydroxyphenyl)-(2-methylphenyl)methanone
CID 21463072

Frequently Asked Questions

What is the IUPAC name of (2-chloro-4-methylsulfonylphenyl)-(2-methylphenyl)methanone?
The IUPAC name of (2-chloro-4-methylsulfonylphenyl)-(2-methylphenyl)methanone (CID 174297294) is (2-chloro-4-methylsulfonylphenyl)-(2-methylphenyl)methanone.
What is the SMILES notation for (2-chloro-4-methylsulfonylphenyl)-(2-methylphenyl)methanone?
The canonical SMILES for (2-chloro-4-methylsulfonylphenyl)-(2-methylphenyl)methanone is Cc1ccccc1C(=O)c1ccc(S(C)(=O)=O)cc1Cl.
What is the InChIKey of (2-chloro-4-methylsulfonylphenyl)-(2-methylphenyl)methanone?
The InChIKey is AZXGWUFPJXJGMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3S/c1-10-5-3-4-6-12(10)15(17)13-8-7-11(9-14(13)16)20(2,18)19/h3-9H,1-2H3.
What are the key properties of (2-chloro-4-methylsulfonylphenyl)-(2-methylphenyl)methanone?
(2-chloro-4-methylsulfonylphenyl)-(2-methylphenyl)methanone has a molecular weight of 308.79 g/mol, XLogP of 3.28, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-chloro-4-methylsulfonylphenyl)-(2-methylphenyl)methanone is sourced from PubChem (CID 174297294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).