3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide

C10H11F3N2O3S — CID 61130873

IUPAC3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)CC(F)(F)F
InChIInChI=1S/C10H11F3N2O3S/c1-6-2-3-7(19(14,17)18)4-8(6)15-9(16)5-10(11,12)13/h2-4H,5H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyGBEIGNZYKRSQDB-UHFFFAOYSA-N
MW296.27 g/mol
LogP1.53
Rot. Bonds3

About 3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide

3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide (PubChem CID 61130873) has the molecular formula C10H11F3N2O3S and a molecular weight of 296.27 g/mol. Its IUPAC name is 3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide.

Molecular Properties

Compound Name3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide
PubChem CID61130873
Molecular FormulaC10H11F3N2O3S
Molecular Weight296.27 g/mol
Exact Mass296.04
IUPAC Name3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide
SMILESCc1ccc(S(N)(=O)=O)cc1NC(=O)CC(F)(F)F
InChIInChI=1S/C10H11F3N2O3S/c1-6-2-3-7(19(14,17)18)4-8(6)15-9(16)5-10(11,12)13/h2-4H,5H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyGBEIGNZYKRSQDB-UHFFFAOYSA-N
XLogP1.53
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.27
LogP ≤ 51.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide 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

2-cyano-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 168521039
3,3,3-trifluoro-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 47155694
5-bromo-N-(2-methyl-5-sulfamoylphenyl)pentanamide
CID 107908940
ethyl N-(2-methyl-5-sulfamoylphenyl)carbamate
CID 61063184
2,2-dimethyl-N-(2-methyl-5-sulfamoylphenyl)butanamide
CID 55103402
2-(cyclopropylmethylamino)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 60866226
2-(1-aminocyclopentyl)-N-(2-methyl-5-sulfamoylphenyl)acetamide
CID 64685240
3,3,3-trifluoro-N-(3-methyl-4-sulfamoylphenyl)propanamide
CID 43246591
(2-methyl-5-sulfamoylphenyl)thiourea
CID 169356925
N-(2-methyl-4-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 103208716
N-(2-fluoro-4-sulfamoylphenyl)-3,3-dimethylbutanamide
CID 43246651
3-chloro-2-methyl-N-(2-methyl-5-sulfamoylphenyl)propanamide
CID 62727205

Frequently Asked Questions

What is the IUPAC name of 3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide?
The IUPAC name of 3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide (CID 61130873) is 3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide.
What is the SMILES notation for 3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide?
The canonical SMILES for 3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide is Cc1ccc(S(N)(=O)=O)cc1NC(=O)CC(F)(F)F.
What is the InChIKey of 3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide?
The InChIKey is GBEIGNZYKRSQDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F3N2O3S/c1-6-2-3-7(19(14,17)18)4-8(6)15-9(16)5-10(11,12)13/h2-4H,5H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide?
3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide has a molecular weight of 296.27 g/mol, XLogP of 1.53, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3,3-trifluoro-N-(2-methyl-5-sulfamoylphenyl)propanamide is sourced from PubChem (CID 61130873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).