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

C17H17F3N2O3S — CID 109059097

IUPACN-butan-2-yl-4-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide
SMILESCCC(C)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C17H17F3N2O3S/c1-3-10(2)21-17(23)11-4-6-12(7-5-11)26(24,25)22-14-9-8-13(18)15(19)16(14)20/h4-10,22H,3H2,1-2H3,(H,21,23)
InChIKeyKKZGDVPSXSZUGN-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.43
Rot. Bonds6

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

N-butan-2-yl-4-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide (PubChem CID 109059097) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-butan-2-yl-4-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-butan-2-yl-4-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide
PubChem CID109059097
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC NameN-butan-2-yl-4-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide
SMILESCCC(C)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)cc1
InChIInChI=1S/C17H17F3N2O3S/c1-3-10(2)21-17(23)11-4-6-12(7-5-11)26(24,25)22-14-9-8-13(18)15(19)16(14)20/h4-10,22H,3H2,1-2H3,(H,21,23)
InChIKeyKKZGDVPSXSZUGN-UHFFFAOYSA-N
XLogP3.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.43
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

N-butan-2-yl-4-(propan-2-ylsulfamoyl)benzamide
CID 51160695
methyl 2-[[4-(butan-2-ylcarbamoyl)phenyl]sulfonylamino]benzoate
CID 109059083
4-(propan-2-ylsulfamoyl)-N-(2,3,4-trifluorophenyl)benzamide
CID 16591110
N-butan-2-yl-2-[(4-fluorophenyl)sulfonylamino]benzamide
CID 51170211
N-butan-2-yl-2-[(4-chlorophenyl)sulfonylamino]benzamide
CID 2947064
N-butan-2-yl-4-[[4-(dimethylamino)phenyl]sulfamoyl]benzamide
CID 109059086
N-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 25350836
N-[(2S)-butan-2-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 26532430
4-[(2-fluorophenyl)sulfamoyl]-N-(3-methylbutan-2-yl)benzamide
CID 46651101
N-[(2R)-butan-2-yl]-3-[(3-chloro-4-fluorophenyl)sulfonylamino]-4-piperazin-1-ylbenzamide
CID 92872291
4-N-butan-2-yl-1-N-(2,4-difluorophenyl)benzene-1,4-dicarboxamide
CID 109044182
4-amino-N-butan-2-ylbenzamide
CID 3503917

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide?
The IUPAC name of N-butan-2-yl-4-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide (CID 109059097) is N-butan-2-yl-4-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide.
What is the SMILES notation for N-butan-2-yl-4-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide?
The canonical SMILES for N-butan-2-yl-4-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide is CCC(C)NC(=O)c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2F)cc1.
What is the InChIKey of N-butan-2-yl-4-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide?
The InChIKey is KKZGDVPSXSZUGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-3-10(2)21-17(23)11-4-6-12(7-5-11)26(24,25)22-14-9-8-13(18)15(19)16(14)20/h4-10,22H,3H2,1-2H3,(H,21,23).
What are the key properties of N-butan-2-yl-4-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide?
N-butan-2-yl-4-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide has a molecular weight of 386.40 g/mol, XLogP of 3.43, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-[(2,3,4-trifluorophenyl)sulfamoyl]benzamide is sourced from PubChem (CID 109059097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).