N-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide

C10H11F3N2O3S — CID 61068183

IUPACN-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide
SMILESNS(=O)(=O)CCNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O3S/c11-10(12,13)8-3-1-2-7(6-8)9(16)15-4-5-19(14,17)18/h1-3,6H,4-5H2,(H,15,16)(H2,14,17,18)
InChIKeyFAZPVXFJHKOQOM-UHFFFAOYSA-N
MW296.27 g/mol
LogP0.72
Rot. Bonds4

About N-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide

N-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide (PubChem CID 61068183) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is N-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide.

Molecular Properties

Compound NameN-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide
PubChem CID61068183
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC NameN-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide
SMILESNS(=O)(=O)CCNC(=O)c1cccc(C(F)(F)F)c1
InChIInChI=1S/C10H11F3N2O3S/c11-10(12,13)8-3-1-2-7(6-8)9(16)15-4-5-19(14,17)18/h1-3,6H,4-5H2,(H,15,16)(H2,14,17,18)
InChIKeyFAZPVXFJHKOQOM-UHFFFAOYSA-N
XLogP0.72
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 50.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromoethyl)-3-(trifluoromethyl)benzamide
CID 3500236
N-(2-aminoethyl)-3-(trifluoromethyl)benzamide;propan-1-amine
CID 142510750
N-(2-methoxyethyl)-3-(trifluoromethyl)benzamide
CID 17217262
N-(3-hydroxy-3-methylbutyl)-3-(trifluoromethyl)benzamide
CID 91445268
N-(2-oxopropyl)-3-(trifluoromethyl)benzamide
CID 64997394
N-[2-(3,4-dihydroxyphenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 78796629
N-(4-aminopentyl)-3-(trifluoromethyl)benzamide
CID 106122605
N-[2-(4-phenylpiperazin-1-yl)sulfonylethyl]-3-(trifluoromethyl)benzamide
CID 16801528
2-chloro-N-[2-[[3-(trifluoromethyl)benzoyl]amino]ethyl]benzamide
CID 55659179
N-[3-(2-aminoethoxy)propyl]-3-(trifluoromethyl)benzamide
CID 106307969
3-(trifluoromethyl)-N-[[3-[[[3-(trifluoromethyl)benzoyl]amino]methyl]phenyl]methyl]benzamide
CID 4076220
N-[2-(3-fluorophenyl)ethyl]-3-(trifluoromethyl)benzamide
CID 9051893

Frequently Asked Questions

What is the IUPAC name of N-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide?
The IUPAC name of N-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide (CID 61068183) is N-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide.
What is the SMILES notation for N-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide?
The canonical SMILES for N-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide is NS(=O)(=O)CCNC(=O)c1cccc(C(F)(F)F)c1.
What is the InChIKey of N-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide?
The InChIKey is FAZPVXFJHKOQOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c11-10(12,13)8-3-1-2-7(6-8)9(16)15-4-5-19(14,17)18/h1-3,6H,4-5H2,(H,15,16)(H2,14,17,18).
What are the key properties of N-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide?
N-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide has a molecular weight of 296.27 g/mol, XLogP of 0.72, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-sulfamoylethyl)-3-(trifluoromethyl)benzamide is sourced from PubChem (CID 61068183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).