2-(2-chlorophenyl)sulfonyl-1-(3-fluorophenyl)ethanone

C14H10ClFO3S — CID 64642512

IUPAC2-(2-chlorophenyl)sulfonyl-1-(3-fluorophenyl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1Cl)c1cccc(F)c1
InChIInChI=1S/C14H10ClFO3S/c15-12-6-1-2-7-14(12)20(18,19)9-13(17)10-4-3-5-11(16)8-10/h1-8H,9H2
InChIKeyIQMNJHLIBHJZDH-UHFFFAOYSA-N
MW312.75 g/mol
LogP3.14
Rot. Bonds4

About 2-(2-chlorophenyl)sulfonyl-1-(3-fluorophenyl)ethanone

2-(2-chlorophenyl)sulfonyl-1-(3-fluorophenyl)ethanone (PubChem CID 64642512) has the molecular formula C14H10ClFO3S and a molecular weight of 312.75 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfonyl-1-(3-fluorophenyl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfonyl-1-(3-fluorophenyl)ethanone
PubChem CID64642512
Molecular FormulaC14H10ClFO3S
Molecular Weight312.75 g/mol
Exact Mass312.00
IUPAC Name2-(2-chlorophenyl)sulfonyl-1-(3-fluorophenyl)ethanone
SMILESO=C(CS(=O)(=O)c1ccccc1Cl)c1cccc(F)c1
InChIInChI=1S/C14H10ClFO3S/c15-12-6-1-2-7-14(12)20(18,19)9-13(17)10-4-3-5-11(16)8-10/h1-8H,9H2
InChIKeyIQMNJHLIBHJZDH-UHFFFAOYSA-N
XLogP3.14
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.75
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-(2-chlorophenyl)sulfonyl-1-(3-fluorophenyl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(2-chlorophenyl)sulfonylacetamide
CID 13345372
2-chloro-N-[2-(3-fluorophenyl)-2-oxoethyl]benzamide
CID 134123734
2-(5-phenacylsulfonylnaphthalen-1-yl)sulfonyl-1-phenylethanone
CID 1116105
2-(3-chloro-4-fluorophenyl)sulfonyl-1-(3-chlorophenyl)ethanone
CID 64635764
[2-(3-fluorophenyl)-2-oxoethyl] 2-ethylsulfonylbenzoate
CID 8677319
1-(3-chloro-2-pyridinyl)-4-(3-fluorophenyl)butane-1,4-dione
CID 90371133
2-(3-fluorophenyl)sulfonyl-1-(4-hydroxyphenyl)ethanone
CID 106584676
3-fluoro-1-(3-fluorophenyl)propan-1-one
CID 56986088
2-(3-chlorophenyl)-2-oxoethanesulfonic acid
CID 115040558
2-(2-methylphenyl)sulfonyl-1-phenylethanone
CID 53400632
1-(3,4-dimethoxyphenyl)-2-(2-fluorophenyl)sulfonylethanone
CID 75527706
1-(5-chloro-2-hydroxyphenyl)-3-(3-fluorophenyl)propane-1,3-dione
CID 776185

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfonyl-1-(3-fluorophenyl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)sulfonyl-1-(3-fluorophenyl)ethanone (CID 64642512) is 2-(2-chlorophenyl)sulfonyl-1-(3-fluorophenyl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)sulfonyl-1-(3-fluorophenyl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)sulfonyl-1-(3-fluorophenyl)ethanone is O=C(CS(=O)(=O)c1ccccc1Cl)c1cccc(F)c1.
What is the InChIKey of 2-(2-chlorophenyl)sulfonyl-1-(3-fluorophenyl)ethanone?
The InChIKey is IQMNJHLIBHJZDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClFO3S/c15-12-6-1-2-7-14(12)20(18,19)9-13(17)10-4-3-5-11(16)8-10/h1-8H,9H2.
What are the key properties of 2-(2-chlorophenyl)sulfonyl-1-(3-fluorophenyl)ethanone?
2-(2-chlorophenyl)sulfonyl-1-(3-fluorophenyl)ethanone has a molecular weight of 312.75 g/mol, XLogP of 3.14, 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-(3-fluorophenyl)ethanone is sourced from PubChem (CID 64642512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).