3-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-N,N-dimethylbenzamide

C21H23F3N2O3S — CID 86807349

IUPAC3-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-N,N-dimethylbenzamide
SMILESCC(C1CC1)N(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C21H23F3N2O3S/c1-14(15-10-11-15)26(18-8-5-7-17(13-18)21(22,23)24)30(28,29)19-9-4-6-16(12-19)20(27)25(2)3/h4-9,12-15H,10-11H2,1-3H3
InChIKeyOMLQRMGYWHDDCQ-UHFFFAOYSA-N
MW440.49 g/mol
LogP4.40
Rot. Bonds6

About 3-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-N,N-dimethylbenzamide

3-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-N,N-dimethylbenzamide (PubChem CID 86807349) has the molecular formula C21H23F3N2O3S and a molecular weight of 440.49 g/mol. Its IUPAC name is 3-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name3-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-N,N-dimethylbenzamide
PubChem CID86807349
Molecular FormulaC21H23F3N2O3S
Molecular Weight440.49 g/mol
Exact Mass440.14
IUPAC Name3-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-N,N-dimethylbenzamide
SMILESCC(C1CC1)N(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N(C)C)c1
InChIInChI=1S/C21H23F3N2O3S/c1-14(15-10-11-15)26(18-8-5-7-17(13-18)21(22,23)24)30(28,29)19-9-4-6-16(12-19)20(27)25(2)3/h4-9,12-15H,10-11H2,1-3H3
InChIKeyOMLQRMGYWHDDCQ-UHFFFAOYSA-N
XLogP4.40
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.49
LogP ≤ 54.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 3-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-N,N-dimethylbenzamide 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-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-5-methylthiophene-2-carboxamide
CID 86807348
N,N-dimethyl-3-[3-(trifluoromethyl)phenyl]benzamide
CID 166329824
N-benzyl-N-(1-cyclopropylethyl)-3-[methyl(phenyl)sulfamoyl]benzamide
CID 75854495
2-[N-(benzenesulfonyl)-3-(trifluoromethyl)anilino]-3,3-dimethylbutanoic acid
CID 141280162
2-[N-(3,4-dichlorophenyl)sulfonyl-3-(trifluoromethyl)anilino]propanoic acid
CID 50893228
2-[N-(4-fluorophenyl)sulfonyl-3-(trifluoromethyl)anilino]propanoyl chloride
CID 50893138
3-[methyl(phenyl)sulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3284690
N-methyl-3-[methyl(propan-2-yl)sulfamoyl]-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide
CID 26619521
N-(4-aminocyclohexyl)-N-methyl-3-(trifluoromethyl)benzamide
CID 79114417
3-[cyclopropyl(methyl)sulfamoyl]benzoic acid
CID 43247619
3-[methyl(propan-2-yl)sulfamoyl]-N-[1-[3-(trifluoromethyl)phenyl]ethyl]benzamide
CID 112764022
N-methyl-N-(1-methylpiperidin-4-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 4986715

Frequently Asked Questions

What is the IUPAC name of 3-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-N,N-dimethylbenzamide?
The IUPAC name of 3-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-N,N-dimethylbenzamide (CID 86807349) is 3-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-N,N-dimethylbenzamide.
What is the SMILES notation for 3-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-N,N-dimethylbenzamide?
The canonical SMILES for 3-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-N,N-dimethylbenzamide is CC(C1CC1)N(c1cccc(C(F)(F)F)c1)S(=O)(=O)c1cccc(C(=O)N(C)C)c1.
What is the InChIKey of 3-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-N,N-dimethylbenzamide?
The InChIKey is OMLQRMGYWHDDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23F3N2O3S/c1-14(15-10-11-15)26(18-8-5-7-17(13-18)21(22,23)24)30(28,29)19-9-4-6-16(12-19)20(27)25(2)3/h4-9,12-15H,10-11H2,1-3H3.
What are the key properties of 3-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-N,N-dimethylbenzamide?
3-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-N,N-dimethylbenzamide has a molecular weight of 440.49 g/mol, XLogP of 4.40, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-cyclopropylethyl-[3-(trifluoromethyl)phenyl]sulfamoyl]-N,N-dimethylbenzamide is sourced from PubChem (CID 86807349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).