N-cyclopentyl-3-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide

C18H17F3N2O3S — CID 109063262

IUPACN-cyclopentyl-3-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide
SMILESO=C(NC1CCCC1)c1cccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C18H17F3N2O3S/c19-14-8-9-15(17(21)16(14)20)23-27(25,26)13-7-3-4-11(10-13)18(24)22-12-5-1-2-6-12/h3-4,7-10,12,23H,1-2,5-6H2,(H,22,24)
InChIKeyZQTWAAUKAAQBNP-UHFFFAOYSA-N
MW398.41 g/mol
LogP3.58
Rot. Bonds5

About N-cyclopentyl-3-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide

N-cyclopentyl-3-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide (PubChem CID 109063262) has the molecular formula C18H17F3N2O3S and a molecular weight of 398.41 g/mol. Its IUPAC name is N-cyclopentyl-3-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide
PubChem CID109063262
Molecular FormulaC18H17F3N2O3S
Molecular Weight398.41 g/mol
Exact Mass398.09
IUPAC NameN-cyclopentyl-3-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide
SMILESO=C(NC1CCCC1)c1cccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)c1
InChIInChI=1S/C18H17F3N2O3S/c19-14-8-9-15(17(21)16(14)20)23-27(25,26)13-7-3-4-11(10-13)18(24)22-12-5-1-2-6-12/h3-4,7-10,12,23H,1-2,5-6H2,(H,22,24)
InChIKeyZQTWAAUKAAQBNP-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

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

3-N-cyclopentyl-1-N-(2,3,4-trifluorophenyl)benzene-1,3-dicarboxamide
CID 109051962
3-[(5-chloro-2-methylphenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 109063245
N-cyclohexyl-3-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27670788
3-[(2-chlorophenyl)sulfamoyl]-N-cyclopentylbenzamide
CID 9214750
3-(cyclohexylsulfamoyl)-N-cyclopentylbenzamide
CID 109063195
N-(4-aminocyclohexyl)-3-[(2-fluorophenyl)sulfamoyl]benzamide
CID 119476348
3-[(3-chlorophenyl)sulfamoyl]-N-cyclohexylbenzamide
CID 9043246
3-(tert-butylsulfamoyl)-N-cyclopentylbenzamide
CID 9214321
3-[(2-fluorophenyl)sulfamoyl]-N-(1-pyrimidin-2-ylpiperidin-3-yl)benzamide
CID 55858580
N-cyclopentyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 9164188
N-cyclopropyl-3-(methylsulfamoyl)benzamide
CID 35743549
4-(benzenesulfonamido)-3-chloro-N-cyclohexylbenzamide
CID 92685822

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-cyclopentyl-3-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide (CID 109063262) is N-cyclopentyl-3-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-cyclopentyl-3-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-cyclopentyl-3-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide is O=C(NC1CCCC1)c1cccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)c1.
What is the InChIKey of N-cyclopentyl-3-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide?
The InChIKey is ZQTWAAUKAAQBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N2O3S/c19-14-8-9-15(17(21)16(14)20)23-27(25,26)13-7-3-4-11(10-13)18(24)22-12-5-1-2-6-12/h3-4,7-10,12,23H,1-2,5-6H2,(H,22,24).
What are the key properties of N-cyclopentyl-3-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide?
N-cyclopentyl-3-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide 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 N-cyclopentyl-3-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 109063262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).