1-methyl-N-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide

C16H19F3N2O3S — CID 70584112

IUPAC1-methyl-N-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC1(NS(=O)(=O)c2ccc(NC(=O)C3(C)CC3C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H19F3N2O3S/c1-14(7-8-14)21-25(23,24)11-5-3-10(4-6-11)20-13(22)15(2)9-12(15)16(17,18)19/h3-6,12,21H,7-9H2,1-2H3,(H,20,22)
InChIKeyXYAMAHLYOIYUQH-UHFFFAOYSA-N
MW376.40 g/mol
LogP3.04
Rot. Bonds5

About 1-methyl-N-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide

1-methyl-N-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide (PubChem CID 70584112) has the molecular formula C16H19F3N2O3S and a molecular weight of 376.40 g/mol. Its IUPAC name is 1-methyl-N-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
PubChem CID70584112
Molecular FormulaC16H19F3N2O3S
Molecular Weight376.40 g/mol
Exact Mass376.11
IUPAC Name1-methyl-N-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide
SMILESCC1(NS(=O)(=O)c2ccc(NC(=O)C3(C)CC3C(F)(F)F)cc2)CC1
InChIInChI=1S/C16H19F3N2O3S/c1-14(7-8-14)21-25(23,24)11-5-3-10(4-6-11)20-13(22)15(2)9-12(15)16(17,18)19/h3-6,12,21H,7-9H2,1-2H3,(H,20,22)
InChIKeyXYAMAHLYOIYUQH-UHFFFAOYSA-N
XLogP3.04
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.40
LogP ≤ 53.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-methyl-N-(4-methylsulfinylphenyl)-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 70585098
N-[4-[(4-chlorophenyl)methoxy]phenyl]-1-methyl-2-(trifluoromethyl)cyclopropane-1-carboxamide
CID 70611798
2-amino-1-methyl-N-[4-(methylsulfamoyl)phenyl]cyclopentane-1-carboxamide
CID 82763880
N-(1-methylcyclopropyl)benzenesulfonamide
CID 67608807
4-(1-hydroxyethyl)-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113485862
4-hydroxy-N-(1-methylcyclopentyl)benzenesulfonamide
CID 64687056
4-fluoro-N-(1-methylcyclopentyl)benzenesulfonamide
CID 47377345
N-(1-methylcyclopentyl)-4-(propylamino)benzenesulfonamide
CID 64687908
2-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]ethanethioamide
CID 113485518
4-[(1-methylcyclohexyl)sulfamoyl]benzenesulfonyl fluoride
CID 114958260
1-methyl-N-(4-sulfamoylphenyl)cyclopentane-1-carboxamide
CID 16584802
N-[4-(tert-butylsulfamoyl)phenyl]adamantane-1-carboxamide
CID 54787422

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The IUPAC name of 1-methyl-N-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide (CID 70584112) is 1-methyl-N-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide.
What is the SMILES notation for 1-methyl-N-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The canonical SMILES for 1-methyl-N-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide is CC1(NS(=O)(=O)c2ccc(NC(=O)C3(C)CC3C(F)(F)F)cc2)CC1.
What is the InChIKey of 1-methyl-N-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
The InChIKey is XYAMAHLYOIYUQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N2O3S/c1-14(7-8-14)21-25(23,24)11-5-3-10(4-6-11)20-13(22)15(2)9-12(15)16(17,18)19/h3-6,12,21H,7-9H2,1-2H3,(H,20,22).
What are the key properties of 1-methyl-N-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide?
1-methyl-N-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide has a molecular weight of 376.40 g/mol, XLogP of 3.04, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[4-[(1-methylcyclopropyl)sulfamoyl]phenyl]-2-(trifluoromethyl)cyclopropane-1-carboxamide is sourced from PubChem (CID 70584112), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).