3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide

C17H17F3N2O3S — CID 26698538

IUPAC3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H17F3N2O3S/c1-11(2)22-26(24,25)15-5-3-4-12(10-15)16(23)21-14-8-6-13(7-9-14)17(18,19)20/h3-11,22H,1-2H3,(H,21,23)
InChIKeyUWQNZRQOAIGPGK-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.64
Rot. Bonds5

About 3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide

3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide (PubChem CID 26698538) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is 3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
PubChem CID26698538
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC Name3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
SMILESCC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1
InChIInChI=1S/C17H17F3N2O3S/c1-11(2)22-26(24,25)15-5-3-4-12(10-15)16(23)21-14-8-6-13(7-9-14)17(18,19)20/h3-11,22H,1-2H3,(H,21,23)
InChIKeyUWQNZRQOAIGPGK-UHFFFAOYSA-N
XLogP3.64
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.40
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-acetamidophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26499556
3-(cyclopropylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide
CID 26718017
N-[4-[[(2R)-butan-2-yl]sulfamoyl]phenyl]-3-(trifluoromethyl)benzamide
CID 51566572
3-(propan-2-ylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 26887138
N-(4-morpholin-4-ylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26639375
N-(4-tert-butylphenyl)-3-(2-methylpropylsulfamoyl)benzamide
CID 109062723
3-acetyl-N-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 26970291
3-(propan-2-ylsulfamoyl)-N-[5-(trifluoromethyl)-1H-imidazol-2-yl]benzamide
CID 71847685
N-(4-fluoro-3-nitrophenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 26696750
3-[[4-(propan-2-ylsulfamoyl)phenyl]sulfamoyl]-N-(2,2,2-trifluoroethyl)benzamide
CID 55879590
3-(propan-2-ylsulfamoyl)-N-[(2S)-1,1,1-trifluoro-2-phenylpropan-2-yl]benzamide
CID 97255062
3-[[2-chloro-5-(trifluoromethyl)phenyl]sulfamoyl]-N-(3,4-dichlorophenyl)benzamide
CID 2341223

Frequently Asked Questions

What is the IUPAC name of 3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide (CID 26698538) is 3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide is CC(C)NS(=O)(=O)c1cccc(C(=O)Nc2ccc(C(F)(F)F)cc2)c1.
What is the InChIKey of 3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
The InChIKey is UWQNZRQOAIGPGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-11(2)22-26(24,25)15-5-3-4-12(10-15)16(23)21-14-8-6-13(7-9-14)17(18,19)20/h3-11,22H,1-2H3,(H,21,23).
What are the key properties of 3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide?
3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide has a molecular weight of 386.40 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propan-2-ylsulfamoyl)-N-[4-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 26698538), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).