2-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one

C15H12ClFO3S — CID 64643284

IUPAC2-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one
SMILESCC(C(=O)c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClFO3S/c1-10(15(18)11-2-6-13(17)7-3-11)21(19,20)14-8-4-12(16)5-9-14/h2-10H,1H3
InChIKeyKCHVSZLLWKAYRA-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.52
Rot. Bonds4

About 2-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one

2-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one (PubChem CID 64643284) has the molecular formula C15H12ClFO3S and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one
PubChem CID64643284
Molecular FormulaC15H12ClFO3S
Molecular Weight326.78 g/mol
Exact Mass326.02
IUPAC Name2-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one
SMILESCC(C(=O)c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H12ClFO3S/c1-10(15(18)11-2-6-13(17)7-3-11)21(19,20)14-8-4-12(16)5-9-14/h2-10H,1H3
InChIKeyKCHVSZLLWKAYRA-UHFFFAOYSA-N
XLogP3.52
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.78
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(benzenesulfonyl)-1-(4-chlorophenyl)propan-1-one
CID 62916858
(2R)-2-(4-fluorophenyl)sulfonylpropanoic acid
CID 28753557
2-(2-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one
CID 64641558
(2S)-N-[2-(4-chlorophenyl)sulfonylethyl]-2-(4-fluorophenyl)sulfonylpropanamide
CID 95348488
4-chloro-N-[2-[3-(4-fluorophenyl)sulfonylbutanoylamino]ethyl]benzamide
CID 86890227
2-methyl-1-[4-(3-oxobutan-2-ylsulfonyl)phenyl]propan-1-one
CID 82164962
bis(4-chlorophenyl)methanone;bis(4-fluorophenyl)methanone
CID 159883474
(2S)-2-(4-fluorophenyl)sulfonyl-N,N-dipropylpropanamide
CID 95156763
N-(2,3-dichlorophenyl)-2-(4-fluorophenyl)sulfonylpropanamide
CID 55811044
(2S)-N-(4-chlorophenyl)-2-[(4-fluorophenyl)sulfonylamino]propanamide
CID 9068716
2-(4-chloro-N-(4-fluorophenyl)sulfonylanilino)propanoic acid
CID 50890267
2-(4-chlorophenyl)sulfonyl-3-methylbutanoic acid
CID 15130541

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one (CID 64643284) is 2-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one is CC(C(=O)c1ccc(F)cc1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one?
The InChIKey is KCHVSZLLWKAYRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO3S/c1-10(15(18)11-2-6-13(17)7-3-11)21(19,20)14-8-4-12(16)5-9-14/h2-10H,1H3.
What are the key properties of 2-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one?
2-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one has a molecular weight of 326.78 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 64643284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).