3-(cyclopentylsulfamoyl)-4-fluoro-N-(4-phenoxyphenyl)benzamide

C24H23FN2O4S — CID 4558932

IUPAC3-(cyclopentylsulfamoyl)-4-fluoro-N-(4-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)c(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C24H23FN2O4S/c25-22-15-10-17(16-23(22)32(29,30)27-19-6-4-5-7-19)24(28)26-18-11-13-21(14-12-18)31-20-8-2-1-3-9-20/h1-3,8-16,19,27H,4-7H2,(H,26,28)
InChIKeyGPCFZDKZCBNFAI-UHFFFAOYSA-N
MW454.52 g/mol
LogP5.09
Rot. Bonds7

About 3-(cyclopentylsulfamoyl)-4-fluoro-N-(4-phenoxyphenyl)benzamide

3-(cyclopentylsulfamoyl)-4-fluoro-N-(4-phenoxyphenyl)benzamide (PubChem CID 4558932) has the molecular formula C24H23FN2O4S and a molecular weight of 454.52 g/mol. Its IUPAC name is 3-(cyclopentylsulfamoyl)-4-fluoro-N-(4-phenoxyphenyl)benzamide.

Molecular Properties

Compound Name3-(cyclopentylsulfamoyl)-4-fluoro-N-(4-phenoxyphenyl)benzamide
PubChem CID4558932
Molecular FormulaC24H23FN2O4S
Molecular Weight454.52 g/mol
Exact Mass454.14
IUPAC Name3-(cyclopentylsulfamoyl)-4-fluoro-N-(4-phenoxyphenyl)benzamide
SMILESO=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)c(S(=O)(=O)NC2CCCC2)c1
InChIInChI=1S/C24H23FN2O4S/c25-22-15-10-17(16-23(22)32(29,30)27-19-6-4-5-7-19)24(28)26-18-11-13-21(14-12-18)31-20-8-2-1-3-9-20/h1-3,8-16,19,27H,4-7H2,(H,26,28)
InChIKeyGPCFZDKZCBNFAI-UHFFFAOYSA-N
XLogP5.09
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.52
LogP ≤ 55.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(cyclopentylsulfamoyl)-4-fluoro-N-(4-phenoxyphenyl)benzamide?
The IUPAC name of 3-(cyclopentylsulfamoyl)-4-fluoro-N-(4-phenoxyphenyl)benzamide (CID 4558932) is 3-(cyclopentylsulfamoyl)-4-fluoro-N-(4-phenoxyphenyl)benzamide.
What is the SMILES notation for 3-(cyclopentylsulfamoyl)-4-fluoro-N-(4-phenoxyphenyl)benzamide?
The canonical SMILES for 3-(cyclopentylsulfamoyl)-4-fluoro-N-(4-phenoxyphenyl)benzamide is O=C(Nc1ccc(Oc2ccccc2)cc1)c1ccc(F)c(S(=O)(=O)NC2CCCC2)c1.
What is the InChIKey of 3-(cyclopentylsulfamoyl)-4-fluoro-N-(4-phenoxyphenyl)benzamide?
The InChIKey is GPCFZDKZCBNFAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23FN2O4S/c25-22-15-10-17(16-23(22)32(29,30)27-19-6-4-5-7-19)24(28)26-18-11-13-21(14-12-18)31-20-8-2-1-3-9-20/h1-3,8-16,19,27H,4-7H2,(H,26,28).
What are the key properties of 3-(cyclopentylsulfamoyl)-4-fluoro-N-(4-phenoxyphenyl)benzamide?
3-(cyclopentylsulfamoyl)-4-fluoro-N-(4-phenoxyphenyl)benzamide has a molecular weight of 454.52 g/mol, XLogP of 5.09, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(cyclopentylsulfamoyl)-4-fluoro-N-(4-phenoxyphenyl)benzamide is sourced from PubChem (CID 4558932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).