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

C15H12ClFO3S — CID 64641558

IUPAC2-(2-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one
SMILESCC(C(=O)c1ccc(F)cc1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C15H12ClFO3S/c1-10(15(18)11-6-8-12(17)9-7-11)21(19,20)14-5-3-2-4-13(14)16/h2-10H,1H3
InChIKeyNKBNHQPSBBJTLJ-UHFFFAOYSA-N
MW326.78 g/mol
LogP3.52
Rot. Bonds4

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

2-(2-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one (PubChem CID 64641558) has the molecular formula C15H12ClFO3S and a molecular weight of 326.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one
PubChem CID64641558
Molecular FormulaC15H12ClFO3S
Molecular Weight326.78 g/mol
Exact Mass326.02
IUPAC Name2-(2-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one
SMILESCC(C(=O)c1ccc(F)cc1)S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C15H12ClFO3S/c1-10(15(18)11-6-8-12(17)9-7-11)21(19,20)14-5-3-2-4-13(14)16/h2-10H,1H3
InChIKeyNKBNHQPSBBJTLJ-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-(4-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one
CID 64643284
2-(2,5-dichlorophenyl)sulfonyl-1-phenylpropan-1-one
CID 64644275
2-(benzenesulfonyl)-1-(4-chlorophenyl)propan-1-one
CID 62916858
methyl 5-[(2R)-2-(2-chlorophenyl)sulfonylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 96542869
methyl 5-[(2S)-2-(2-chlorophenyl)sulfonylpropanoyl]-2,4-dimethyl-1H-pyrrole-3-carboxylate
CID 96542870
[4-(2-chlorophenyl)sulfonylpiperazin-1-yl]-(4-fluorophenyl)methanone
CID 9239681
2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 47217645
fluorobenzene;1-(4-fluorophenyl)-2-methylpropan-1-one;2-methylpropanoyl chloride;trichloroalumane
CID 159184008
2,2-dimethyl-1-phenylpropan-1-one;1-(4-fluorophenyl)-2,2-dimethylpropan-1-one
CID 158594816
1-(2-chlorophenyl)sulfonylpropyl benzoate
CID 174700729
(2S)-1-(4-fluorophenyl)-2,3-dimethylbutan-1-one
CID 143361678
1,4-bis(4-fluorophenyl)-2,3-diphenylbutane-1,4-dione
CID 70902431

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one?
The IUPAC name of 2-(2-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one (CID 64641558) is 2-(2-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one.
What is the SMILES notation for 2-(2-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one?
The canonical SMILES for 2-(2-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one is CC(C(=O)c1ccc(F)cc1)S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one?
The InChIKey is NKBNHQPSBBJTLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClFO3S/c1-10(15(18)11-6-8-12(17)9-7-11)21(19,20)14-5-3-2-4-13(14)16/h2-10H,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one?
2-(2-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-(2-chlorophenyl)sulfonyl-1-(4-fluorophenyl)propan-1-one is sourced from PubChem (CID 64641558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).