N-[2-(2-fluoro-4-sulfamoylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide

C17H12F4N4O3S — CID 142060164

IUPACN-[2-(2-fluoro-4-sulfamoylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide
SMILESNS(=O)(=O)c1ccc(-c2ccccc2NC(=O)n2ccc(C(F)(F)F)n2)c(F)c1
InChIInChI=1S/C17H12F4N4O3S/c18-13-9-10(29(22,27)28)5-6-11(13)12-3-1-2-4-14(12)23-16(26)25-8-7-15(24-25)17(19,20)21/h1-9H,(H,23,26)(H2,22,27,28)
InChIKeyRCWWVWGZPZNSOR-UHFFFAOYSA-N
MW428.37 g/mol
LogP3.44
Rot. Bonds3

About N-[2-(2-fluoro-4-sulfamoylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide

N-[2-(2-fluoro-4-sulfamoylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide (PubChem CID 142060164) has the molecular formula C17H12F4N4O3S and a molecular weight of 428.37 g/mol. Its IUPAC name is N-[2-(2-fluoro-4-sulfamoylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide.

Molecular Properties

Compound NameN-[2-(2-fluoro-4-sulfamoylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide
PubChem CID142060164
Molecular FormulaC17H12F4N4O3S
Molecular Weight428.37 g/mol
Exact Mass428.06
IUPAC NameN-[2-(2-fluoro-4-sulfamoylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide
SMILESNS(=O)(=O)c1ccc(-c2ccccc2NC(=O)n2ccc(C(F)(F)F)n2)c(F)c1
InChIInChI=1S/C17H12F4N4O3S/c18-13-9-10(29(22,27)28)5-6-11(13)12-3-1-2-4-14(12)23-16(26)25-8-7-15(24-25)17(19,20)21/h1-9H,(H,23,26)(H2,22,27,28)
InChIKeyRCWWVWGZPZNSOR-UHFFFAOYSA-N
XLogP3.44
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.37
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-Phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]-3-(1-propan-2-ylpyrazol-3-yl)urea
CID 90101618
1-(1,5-Dimethylpyrazol-3-yl)-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea
CID 90145405
1-(1-Ethylpyrazol-3-yl)-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea
CID 90145410
1-(1-Methylpyrazol-3-yl)-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea
CID 90145460
1-(2,5-Dimethylpyrazol-3-yl)-3-[2-phenyl-5-(2,2,2-trifluoroethylsulfamoyl)phenyl]urea
CID 90145413
Spc 5002
CID 128886
US11724992, Example 209
CID 146450738
N-(4-methylphenyl)sulfonyl-4-pyridin-4-yl-3-[4-(trifluoromethyl)phenyl]pyrazole-1-carboxamide
CID 3533824
1-(2,4-Difluorophenyl)-3-[5-methylsulfonyl-2-(1-propan-2-ylpyrazol-4-yl)phenyl]urea
CID 4349269
3-[4-(4-Fluorophenylthio)phenyl]-1H-pyrazole-1-carboxamide
CID 12043637
4-[1-Phenyl-3-(trifluoromethyl)pyrazol-4-yl]benzenesulfonamide
CID 53994367
N-[3,4-difluoro-2-[(2-fluoro-4-iodophenyl)methyl]phenyl]-1-methyl-3-(trifluoromethyl)pyrazole-4-sulfonamide
CID 58133077

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-fluoro-4-sulfamoylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide?
The IUPAC name of N-[2-(2-fluoro-4-sulfamoylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide (CID 142060164) is N-[2-(2-fluoro-4-sulfamoylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide.
What is the SMILES notation for N-[2-(2-fluoro-4-sulfamoylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide?
The canonical SMILES for N-[2-(2-fluoro-4-sulfamoylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide is NS(=O)(=O)c1ccc(-c2ccccc2NC(=O)n2ccc(C(F)(F)F)n2)c(F)c1.
What is the InChIKey of N-[2-(2-fluoro-4-sulfamoylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide?
The InChIKey is RCWWVWGZPZNSOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12F4N4O3S/c18-13-9-10(29(22,27)28)5-6-11(13)12-3-1-2-4-14(12)23-16(26)25-8-7-15(24-25)17(19,20)21/h1-9H,(H,23,26)(H2,22,27,28).
What are the key properties of N-[2-(2-fluoro-4-sulfamoylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide?
N-[2-(2-fluoro-4-sulfamoylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide has a molecular weight of 428.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-fluoro-4-sulfamoylphenyl)phenyl]-3-(trifluoromethyl)pyrazole-1-carboxamide is sourced from PubChem (CID 142060164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).