3-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide

C11H11F3N2O3S — CID 106213729

IUPAC3-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESNS(=O)(=O)c1cccc(C(=O)NC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C11H11F3N2O3S/c12-11(13,14)10(4-5-10)16-9(17)7-2-1-3-8(6-7)20(15,18)19/h1-3,6H,4-5H2,(H,16,17)(H2,15,18,19)
InChIKeyDFTJSEDYJGOULD-UHFFFAOYSA-N
MW308.28 g/mol
LogP1.16
Rot. Bonds3

About 3-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide

3-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide (PubChem CID 106213729) has the molecular formula C11H11F3N2O3S and a molecular weight of 308.28 g/mol. Its IUPAC name is 3-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide.

Molecular Properties

Compound Name3-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
PubChem CID106213729
Molecular FormulaC11H11F3N2O3S
Molecular Weight308.28 g/mol
Exact Mass308.04
IUPAC Name3-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
SMILESNS(=O)(=O)c1cccc(C(=O)NC2(C(F)(F)F)CC2)c1
InChIInChI=1S/C11H11F3N2O3S/c12-11(13,14)10(4-5-10)16-9(17)7-2-1-3-8(6-7)20(15,18)19/h1-3,6H,4-5H2,(H,16,17)(H2,15,18,19)
InChIKeyDFTJSEDYJGOULD-UHFFFAOYSA-N
XLogP1.16
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.28
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114159062
2-bromo-5-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106219415
3-[(3-sulfamoylbenzoyl)amino]benzoic acid
CID 834338
3-amino-5-methylsulfonyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 106208285
3-fluoro-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride
CID 106213462
N-ethyl-3-sulfamoylbenzamide
CID 43089872
3-amino-4-methyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide
CID 114158343
3-bromo-5-[[1-(trifluoromethyl)cyclopropyl]carbamoyl]benzenesulfonyl chloride
CID 106213459
N-[1-(trifluoromethyl)cyclopropyl]-1H-indole-6-carboxamide
CID 103750188
N-(oxolan-3-yl)-3-sulfamoylbenzamide
CID 80712621
3-(2,2-dimethylpropanoyl)benzenesulfonamide
CID 58728640
N-(3,4-dimethylcyclohexyl)-3-sulfamoylbenzamide
CID 64743154

Frequently Asked Questions

What is the IUPAC name of 3-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The IUPAC name of 3-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide (CID 106213729) is 3-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide.
What is the SMILES notation for 3-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The canonical SMILES for 3-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide is NS(=O)(=O)c1cccc(C(=O)NC2(C(F)(F)F)CC2)c1.
What is the InChIKey of 3-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
The InChIKey is DFTJSEDYJGOULD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11F3N2O3S/c12-11(13,14)10(4-5-10)16-9(17)7-2-1-3-8(6-7)20(15,18)19/h1-3,6H,4-5H2,(H,16,17)(H2,15,18,19).
What are the key properties of 3-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide?
3-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide has a molecular weight of 308.28 g/mol, XLogP of 1.16, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-sulfamoyl-N-[1-(trifluoromethyl)cyclopropyl]benzamide is sourced from PubChem (CID 106213729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).