2-(4-chlorophenyl)-N-(4-fluorophenyl)sulfonylacetamide

C14H11ClFNO3S — CID 56680358

IUPAC2-(4-chlorophenyl)-N-(4-fluorophenyl)sulfonylacetamide
SMILESO=C(Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H11ClFNO3S/c15-11-3-1-10(2-4-11)9-14(18)17-21(19,20)13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18)
InChIKeyBIOWMBMJKQEQBG-UHFFFAOYSA-N
MW327.76 g/mol
LogP2.53
Rot. Bonds4

About 2-(4-chlorophenyl)-N-(4-fluorophenyl)sulfonylacetamide

2-(4-chlorophenyl)-N-(4-fluorophenyl)sulfonylacetamide (PubChem CID 56680358) has the molecular formula C14H11ClFNO3S and a molecular weight of 327.76 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-N-(4-fluorophenyl)sulfonylacetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)-N-(4-fluorophenyl)sulfonylacetamide
PubChem CID56680358
Molecular FormulaC14H11ClFNO3S
Molecular Weight327.76 g/mol
Exact Mass327.01
IUPAC Name2-(4-chlorophenyl)-N-(4-fluorophenyl)sulfonylacetamide
SMILESO=C(Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C14H11ClFNO3S/c15-11-3-1-10(2-4-11)9-14(18)17-21(19,20)13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18)
InChIKeyBIOWMBMJKQEQBG-UHFFFAOYSA-N
XLogP2.53
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.76
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(4-chlorophenyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 1346695
4-Chloro-N-(4-chlorobenzenesulfonyl)benzamide
CID 837182
2,4-dichloro-N-(4-fluorophenyl)sulfonylbenzamide
CID 11473497
N-(4-chlorophenyl)sulfonylbenzamide
CID 286220
N-(benzenesulfonyl)-2-(4-fluorophenyl)acetamide
CID 47108695
3-chloro-N-(phenylsulfonyl)benzamide
CID 777284
N-(4-chlorophenyl)sulfonyl-2-(4-fluorophenyl)acetamide
CID 56673721
2-(4-fluorophenyl)-N-(4-methylphenyl)sulfonylacetamide
CID 56680357
2-(4-fluorophenyl)-N-(4-fluorophenyl)sulfonylacetamide
CID 56683687
2-Phenyl-N-(phenylsulfonyl)acetamide
CID 357766
(E)-3-(4-chlorophenyl)-N-(4-fluorophenyl)sulfonylprop-2-enamide
CID 56675263
N-[2-(4-chlorophenyl)ethyl]-3,4-difluorobenzenesulfonamide
CID 2404283

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-N-(4-fluorophenyl)sulfonylacetamide?
The IUPAC name of 2-(4-chlorophenyl)-N-(4-fluorophenyl)sulfonylacetamide (CID 56680358) is 2-(4-chlorophenyl)-N-(4-fluorophenyl)sulfonylacetamide.
What is the SMILES notation for 2-(4-chlorophenyl)-N-(4-fluorophenyl)sulfonylacetamide?
The canonical SMILES for 2-(4-chlorophenyl)-N-(4-fluorophenyl)sulfonylacetamide is O=C(Cc1ccc(Cl)cc1)NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-N-(4-fluorophenyl)sulfonylacetamide?
The InChIKey is BIOWMBMJKQEQBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11ClFNO3S/c15-11-3-1-10(2-4-11)9-14(18)17-21(19,20)13-7-5-12(16)6-8-13/h1-8H,9H2,(H,17,18).
What are the key properties of 2-(4-chlorophenyl)-N-(4-fluorophenyl)sulfonylacetamide?
2-(4-chlorophenyl)-N-(4-fluorophenyl)sulfonylacetamide has a molecular weight of 327.76 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-N-(4-fluorophenyl)sulfonylacetamide is sourced from PubChem (CID 56680358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).