5-(cyclopentylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide

C18H17F3N2O3S — CID 3602784

IUPAC5-(cyclopentylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(S(=O)(=O)NC2CCCC2)ccc1F
InChIInChI=1S/C18H17F3N2O3S/c19-15-8-6-13(27(25,26)23-11-3-1-2-4-11)10-14(15)18(24)22-12-5-7-16(20)17(21)9-12/h5-11,23H,1-4H2,(H,22,24)
InChIKeyZSAVPNCDVFOTNN-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.58
Rot. Bonds5

About 5-(cyclopentylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide

5-(cyclopentylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide (PubChem CID 3602784) has the molecular formula C18H17F3N2O3S and a molecular weight of 398.41 g/mol. Its IUPAC name is 5-(cyclopentylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide.

Molecular Properties

Compound Name5-(cyclopentylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide
PubChem CID3602784
Molecular FormulaC18H17F3N2O3S
Molecular Weight398.41 g/mol
Exact Mass398.09
IUPAC Name5-(cyclopentylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide
SMILESO=C(Nc1ccc(F)c(F)c1)c1cc(S(=O)(=O)NC2CCCC2)ccc1F
InChIInChI=1S/C18H17F3N2O3S/c19-15-8-6-13(27(25,26)23-11-3-1-2-4-11)10-14(15)18(24)22-12-5-7-16(20)17(21)9-12/h5-11,23H,1-4H2,(H,22,24)
InChIKeyZSAVPNCDVFOTNN-UHFFFAOYSA-N
XLogP3.58
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.41
LogP ≤ 53.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-3-(4-hydroxypiperidin-1-yl)sulfonyl-N-(3,4,5-trifluorophenyl)benzamide
CID 89663273
N-(4-Sulfamoyl-phenyl)-benzamide
CID 721954
USP30 inhibitor 18
CID 142474792
N-[4-(Aminosulfonyl)phenyl]-2-mercaptobenzamide
CID 462919
N-(4-methylphenyl)-3-(piperidin-1-ylcarbonyl)benzenesulfonamide
CID 2361079
2,3,5,6-tetrafluoro-N-(3-sulfamoylphenyl)benzamide
CID 10383098
N-[(4-fluorophenyl)methyl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 9266705
N-Phenyl-3-(1-piperidinylsulfonyl)benzamide
CID 558837
N-(4-cyanophenyl)-3-(diethylsulfamoyl)benzamide
CID 3241048
N-butyl-4-[(phenylsulfonyl)amino]benzamide
CID 2224401
2,3,4,5,6-pentafluoro-N-(4-sulfamoylphenyl)benzamide
CID 4180608
Sulfonamide deriv., 7d
CID 44520901

Frequently Asked Questions

What is the IUPAC name of 5-(cyclopentylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide?
The IUPAC name of 5-(cyclopentylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide (CID 3602784) is 5-(cyclopentylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide.
What is the SMILES notation for 5-(cyclopentylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide?
The canonical SMILES for 5-(cyclopentylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide is O=C(Nc1ccc(F)c(F)c1)c1cc(S(=O)(=O)NC2CCCC2)ccc1F.
What is the InChIKey of 5-(cyclopentylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide?
The InChIKey is ZSAVPNCDVFOTNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3S/c19-15-8-6-13(27(25,26)23-11-3-1-2-4-11)10-14(15)18(24)22-12-5-7-16(20)17(21)9-12/h5-11,23H,1-4H2,(H,22,24).
What are the key properties of 5-(cyclopentylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide?
5-(cyclopentylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide has a molecular weight of 398.41 g/mol, XLogP of 3.58, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclopentylsulfamoyl)-N-(3,4-difluorophenyl)-2-fluorobenzamide is sourced from PubChem (CID 3602784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).