N-[(2,4-difluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide

C17H13F3N4O3S — CID 53115701

IUPACN-[(2,4-difluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1cn[nH]c1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H13F3N4O3S/c18-11-3-5-13(6-4-11)24-28(26,27)17-14(9-22-23-17)16(25)21-8-10-1-2-12(19)7-15(10)20/h1-7,9,24H,8H2,(H,21,25)(H,22,23)
InChIKeyCQTSCMQJQWGREX-UHFFFAOYSA-N
MW410.38 g/mol
LogP2.56
Rot. Bonds6

About N-[(2,4-difluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide

N-[(2,4-difluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide (PubChem CID 53115701) has the molecular formula C17H13F3N4O3S and a molecular weight of 410.38 g/mol. Its IUPAC name is N-[(2,4-difluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide.

Molecular Properties

Compound NameN-[(2,4-difluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
PubChem CID53115701
Molecular FormulaC17H13F3N4O3S
Molecular Weight410.38 g/mol
Exact Mass410.07
IUPAC NameN-[(2,4-difluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
SMILESO=C(NCc1ccc(F)cc1F)c1cn[nH]c1S(=O)(=O)Nc1ccc(F)cc1
InChIInChI=1S/C17H13F3N4O3S/c18-11-3-5-13(6-4-11)24-28(26,27)17-14(9-22-23-17)16(25)21-8-10-1-2-12(19)7-15(10)20/h1-7,9,24H,8H2,(H,21,25)(H,22,23)
InChIKeyCQTSCMQJQWGREX-UHFFFAOYSA-N
XLogP2.56
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.38
LogP ≤ 52.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

5-[(4-fluorophenyl)sulfamoyl]-N-methyl-1H-pyrazole-4-carboxamide
CID 53115687
N-[(2-fluorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115664
N-(4-carbamoylphenyl)-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 171146147
N-[(4-ethylphenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115660
N-(3,4-difluorophenyl)-5-[(4-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115471
5-[(3-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 54934258
N-[(2,4-difluorophenyl)methyl]-3-fluoropyridine-4-carboxamide
CID 115645752
N-(3-fluorophenyl)-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115538
N-[(3-chlorophenyl)methyl]-5-[(4-methoxyphenyl)sulfamoyl]-1H-pyrazole-4-carboxamide
CID 53115668
5-[(4-ethoxyphenyl)sulfamoyl]-N-[(4-methylphenyl)methyl]-1H-pyrazole-4-carboxamide
CID 171146148
5-[(4-fluoro-3-methylphenyl)sulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 62811098
2-chloro-N-[(2-fluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]benzamide
CID 27163581

Frequently Asked Questions

What is the IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The IUPAC name of N-[(2,4-difluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide (CID 53115701) is N-[(2,4-difluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide.
What is the SMILES notation for N-[(2,4-difluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The canonical SMILES for N-[(2,4-difluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide is O=C(NCc1ccc(F)cc1F)c1cn[nH]c1S(=O)(=O)Nc1ccc(F)cc1.
What is the InChIKey of N-[(2,4-difluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
The InChIKey is CQTSCMQJQWGREX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N4O3S/c18-11-3-5-13(6-4-11)24-28(26,27)17-14(9-22-23-17)16(25)21-8-10-1-2-12(19)7-15(10)20/h1-7,9,24H,8H2,(H,21,25)(H,22,23).
What are the key properties of N-[(2,4-difluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide?
N-[(2,4-difluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide has a molecular weight of 410.38 g/mol, XLogP of 2.56, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-difluorophenyl)methyl]-5-[(4-fluorophenyl)sulfamoyl]-1H-pyrazole-4-carboxamide is sourced from PubChem (CID 53115701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).