N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

C17H17F3N2O3S — CID 26823127

IUPACN-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCCCNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H17F3N2O3S/c1-2-10-21-16(23)12-6-8-15(9-7-12)26(24,25)22-14-5-3-4-13(11-14)17(18,19)20/h3-9,11,22H,2,10H2,1H3,(H,21,23)
InChIKeyDHOYMBAMRBOETH-UHFFFAOYSA-N
MW386.40 g/mol
LogP3.65
Rot. Bonds6

About N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide

N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (PubChem CID 26823127) has the molecular formula C17H17F3N2O3S and a molecular weight of 386.40 g/mol. Its IUPAC name is N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.

Molecular Properties

Compound NameN-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
PubChem CID26823127
Molecular FormulaC17H17F3N2O3S
Molecular Weight386.40 g/mol
Exact Mass386.09
IUPAC NameN-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
SMILESCCCNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1
InChIInChI=1S/C17H17F3N2O3S/c1-2-10-21-16(23)12-6-8-15(9-7-12)26(24,25)22-14-5-3-4-13(11-14)17(18,19)20/h3-9,11,22H,2,10H2,1H3,(H,21,23)
InChIKeyDHOYMBAMRBOETH-UHFFFAOYSA-N
XLogP3.65
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 ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methoxyethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 26500843
N-[2-[di(propan-2-yl)amino]ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 27231354
N-[(2R)-butan-2-yl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 25350836
N-methyl-N-(2,2,2-trifluoroethyl)-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 52599921
4-(phenylsulfamoyl)-N-[[3-(trifluoromethyl)phenyl]methyl]benzamide
CID 2105846
N-ethyl-3-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 25346546
N-[2-(dimethylamino)-2-(furan-2-yl)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 24542683
N-[2-(diethylamino)ethyl]-4-[[3-(trifluoromethyl)phenyl]sulfonylamino]benzamide
CID 3691485
N-[4-[[3-(trifluoromethyl)phenyl]sulfamoyl]phenyl]acetamide
CID 1069109
1-N-butyl-4-N-[3-(trifluoromethyl)phenyl]benzene-1,4-dicarboxamide
CID 109043779
N-[(1S)-1-cyclopropylethyl]-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 9305504
N-(2,2,2-trifluoroethyl)-3-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide
CID 37064206

Frequently Asked Questions

What is the IUPAC name of N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The IUPAC name of N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide (CID 26823127) is N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide.
What is the SMILES notation for N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The canonical SMILES for N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is CCCNC(=O)c1ccc(S(=O)(=O)Nc2cccc(C(F)(F)F)c2)cc1.
What is the InChIKey of N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
The InChIKey is DHOYMBAMRBOETH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F3N2O3S/c1-2-10-21-16(23)12-6-8-15(9-7-12)26(24,25)22-14-5-3-4-13(11-14)17(18,19)20/h3-9,11,22H,2,10H2,1H3,(H,21,23).
What are the key properties of N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide?
N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide has a molecular weight of 386.40 g/mol, XLogP of 3.65, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-4-[[3-(trifluoromethyl)phenyl]sulfamoyl]benzamide is sourced from PubChem (CID 26823127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).