1-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

C19H17F3N4O3S — CID 78889852

IUPAC1-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cn(C)nc2C(F)(F)F)c1
InChIInChI=1S/C19H17F3N4O3S/c1-25-12-16(17(24-25)19(20,21)22)18(27)23-13-7-6-10-15(11-13)30(28,29)26(2)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,23,27)
InChIKeyGKFMPQIEGZMZAU-UHFFFAOYSA-N
MW438.43 g/mol
LogP3.52
Rot. Bonds5

About 1-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide

1-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (PubChem CID 78889852) has the molecular formula C19H17F3N4O3S and a molecular weight of 438.43 g/mol. Its IUPAC name is 1-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.

Molecular Properties

Compound Name1-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
PubChem CID78889852
Molecular FormulaC19H17F3N4O3S
Molecular Weight438.43 g/mol
Exact Mass438.10
IUPAC Name1-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide
SMILESCN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cn(C)nc2C(F)(F)F)c1
InChIInChI=1S/C19H17F3N4O3S/c1-25-12-16(17(24-25)19(20,21)22)18(27)23-13-7-6-10-15(11-13)30(28,29)26(2)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,23,27)
InChIKeyGKFMPQIEGZMZAU-UHFFFAOYSA-N
XLogP3.52
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.43
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-[3-(trifluoromethyl)pyrazol-1-yl]acetamide
CID 4880016
3-[methyl(phenyl)sulfamoyl]-N-[3-(trifluoromethyl)phenyl]benzamide
CID 3284690
5-bromo-2-chloro-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 26896379
N-(3-ethynylphenyl)-1-methyl-3-(trifluoromethyl)pyrazole-4-carboxamide
CID 87008609
2-ethoxy-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 18075070
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-1-phenylpyrazole-4-carboxamide
CID 25436790
N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 4290143
5-ethyl-1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]pyrazole-4-carboxamide
CID 31892941
1-(4-fluorophenyl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-5-propan-2-ylpyrazole-4-carboxamide
CID 31892928
3-(2,2-dimethylpropanoylamino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]benzamide
CID 35186261
2-(N-methylanilino)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]acetamide
CID 8689679
3-(2,5-dioxopyrrolidin-1-yl)-N-[3-[methyl(phenyl)sulfamoyl]phenyl]propanamide
CID 29358158

Frequently Asked Questions

What is the IUPAC name of 1-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The IUPAC name of 1-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide (CID 78889852) is 1-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide.
What is the SMILES notation for 1-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The canonical SMILES for 1-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is CN(c1ccccc1)S(=O)(=O)c1cccc(NC(=O)c2cn(C)nc2C(F)(F)F)c1.
What is the InChIKey of 1-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
The InChIKey is GKFMPQIEGZMZAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17F3N4O3S/c1-25-12-16(17(24-25)19(20,21)22)18(27)23-13-7-6-10-15(11-13)30(28,29)26(2)14-8-4-3-5-9-14/h3-12H,1-2H3,(H,23,27).
What are the key properties of 1-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide?
1-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide has a molecular weight of 438.43 g/mol, XLogP of 3.52, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[3-[methyl(phenyl)sulfamoyl]phenyl]-3-(trifluoromethyl)pyrazole-4-carboxamide is sourced from PubChem (CID 78889852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).