(4-chlorophenyl)-[4-(2-ethylsulfonylethyl)phenyl]methanone

C17H17ClO3S — CID 54377224

IUPAC(4-chlorophenyl)-[4-(2-ethylsulfonylethyl)phenyl]methanone
SMILESCCS(=O)(=O)CCc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClO3S/c1-2-22(20,21)12-11-13-3-5-14(6-4-13)17(19)15-7-9-16(18)10-8-15/h3-10H,2,11-12H2,1H3
InChIKeyUXJNXPKIMGPBSC-UHFFFAOYSA-N
MW336.84 g/mol
LogP3.55
Rot. Bonds6

About (4-chlorophenyl)-[4-(2-ethylsulfonylethyl)phenyl]methanone

(4-chlorophenyl)-[4-(2-ethylsulfonylethyl)phenyl]methanone (PubChem CID 54377224) has the molecular formula C17H17ClO3S and a molecular weight of 336.84 g/mol. Its IUPAC name is (4-chlorophenyl)-[4-(2-ethylsulfonylethyl)phenyl]methanone.

Molecular Properties

Compound Name(4-chlorophenyl)-[4-(2-ethylsulfonylethyl)phenyl]methanone
PubChem CID54377224
Molecular FormulaC17H17ClO3S
Molecular Weight336.84 g/mol
Exact Mass336.06
IUPAC Name(4-chlorophenyl)-[4-(2-ethylsulfonylethyl)phenyl]methanone
SMILESCCS(=O)(=O)CCc1ccc(C(=O)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C17H17ClO3S/c1-2-22(20,21)12-11-13-3-5-14(6-4-13)17(19)15-7-9-16(18)10-8-15/h3-10H,2,11-12H2,1H3
InChIKeyUXJNXPKIMGPBSC-UHFFFAOYSA-N
XLogP3.55
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.84
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-chlorophenyl)-[4-(methylsulfonylmethyl)phenyl]methanone
CID 18779913
(4-chlorophenyl)-[4-(sulfanylmethyl)phenyl]methanone
CID 19689380
methyl 4-[4-(4-chlorobenzoyl)phenyl]butanoate
CID 10781715
9-[2-(4-chlorophenyl)ethylsulfonyl]nonanoic acid
CID 70396517
N'-(4-chlorobenzoyl)-4-propylbenzohydrazide
CID 765467
[4-(2-amino-2-hydroxybutyl)phenyl]-(4-chlorophenyl)methanone
CID 22373683
(3,5-dichlorophenyl)-(4-ethylphenyl)methanone
CID 24723207
(4-chloro-3-fluorophenyl)-(4-propylphenyl)methanone
CID 107996346
2-[3-(4-chlorophenyl)propylsulfonyl]ethanol
CID 71972664
(4-chlorophenyl)-(4-methoxy-3-propylphenyl)methanone
CID 166082039
(4-chlorophenyl)-phenylmethanone;propan-2-one
CID 175521712
(4-chlorophenyl)-[4-(2,3-dimethylbut-3-enyl)phenyl]methanone
CID 143842918

Frequently Asked Questions

What is the IUPAC name of (4-chlorophenyl)-[4-(2-ethylsulfonylethyl)phenyl]methanone?
The IUPAC name of (4-chlorophenyl)-[4-(2-ethylsulfonylethyl)phenyl]methanone (CID 54377224) is (4-chlorophenyl)-[4-(2-ethylsulfonylethyl)phenyl]methanone.
What is the SMILES notation for (4-chlorophenyl)-[4-(2-ethylsulfonylethyl)phenyl]methanone?
The canonical SMILES for (4-chlorophenyl)-[4-(2-ethylsulfonylethyl)phenyl]methanone is CCS(=O)(=O)CCc1ccc(C(=O)c2ccc(Cl)cc2)cc1.
What is the InChIKey of (4-chlorophenyl)-[4-(2-ethylsulfonylethyl)phenyl]methanone?
The InChIKey is UXJNXPKIMGPBSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17ClO3S/c1-2-22(20,21)12-11-13-3-5-14(6-4-13)17(19)15-7-9-16(18)10-8-15/h3-10H,2,11-12H2,1H3.
What are the key properties of (4-chlorophenyl)-[4-(2-ethylsulfonylethyl)phenyl]methanone?
(4-chlorophenyl)-[4-(2-ethylsulfonylethyl)phenyl]methanone has a molecular weight of 336.84 g/mol, XLogP of 3.55, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-chlorophenyl)-[4-(2-ethylsulfonylethyl)phenyl]methanone is sourced from PubChem (CID 54377224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).