(4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone

C15H13ClO3S — CID 18779913

IUPAC(4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone
SMILESCS(=O)(=O)Cc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClO3S/c1-20(18,19)10-11-2-4-12(5-3-11)15(17)13-6-8-14(16)9-7-13/h2-9H,10H2,1H3
InChIKeyMOSFTHFFMKLJPG-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.12
Rot. Bonds4

About (4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone

(4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone (PubChem CID 18779913) has the molecular formula C15H13ClO3S and a molecular weight of 308.79 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone
PubChem CID18779913
Molecular FormulaC15H13ClO3S
Molecular Weight308.79 g/mol
Exact Mass308.03
IUPAC Name(4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone
SMILESCS(=O)(=O)Cc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C15H13ClO3S/c1-20(18,19)10-11-2-4-12(5-3-11)15(17)13-6-8-14(16)9-7-13/h2-9H,10H2,1H3
InChIKeyMOSFTHFFMKLJPG-UHFFFAOYSA-N
XLogP3.12
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N'-(4-chlorobenzoyl)-4-(methylsulfonylmethyl)benzohydrazide
CID 9442397
(4-chlorophenyl)methyl 4-(methylsulfonylmethyl)benzoate
CID 7753128
N-[(4-chlorophenyl)methyl]-N-methyl-4-(methylsulfonylmethyl)benzamide
CID 31987355
N-[(1R)-1-(4-chlorophenyl)ethyl]-4-(methylsulfonylmethyl)benzamide
CID 8751478
(4-chlorophenyl)-[4-(2-ethylsulfonylethyl)phenyl]methanone
CID 54377224
(4-chlorophenyl)-[4-(sulfanylmethyl)phenyl]methanone
CID 19689380
1-(4-chlorophenyl)-2-methylsulfonylethanone
CID 2735795
1-[(4-chlorophenyl)methyl]-4-(methylsulfonylmethyl)pyridin-1-ium;hydrobromide
CID 126960392
N-(6-chloropyridazin-3-yl)-4-(methylsulfonylmethyl)benzamide
CID 56805495
N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-(methylsulfonylmethyl)benzamide
CID 26250465
(2-chlorophenyl) 4-(methylsulfonylmethyl)benzoate
CID 26096675
(4-chlorophenyl)methanesulfonic acid
CID 13354140

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone (CID 18779913) is (4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone is CS(=O)(=O)Cc1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone?
The InChIKey is MOSFTHFFMKLJPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClO3S/c1-20(18,19)10-11-2-4-12(5-3-11)15(17)13-6-8-14(16)9-7-13/h2-9H,10H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone?
(4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone has a molecular weight of 308.79 g/mol, XLogP of 3.12, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone is sourced from PubChem (CID 18779913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).