N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide

C21H18N6O3S — CID 118947481

IUPACN-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCN(c1ncccn1)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C21H18N6O3S/c1-27(21-22-12-5-13-23-21)31(29,30)17-10-8-16(9-11-17)24-20(28)19-14-18(25-26-19)15-6-3-2-4-7-15/h2-14H,1H3,(H,24,28)(H,25,26)
InChIKeyNKCFJRZWCNUHCA-UHFFFAOYSA-N
MW434.48 g/mol
LogP2.94
Rot. Bonds6

About N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide

N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide (PubChem CID 118947481) has the molecular formula C21H18N6O3S and a molecular weight of 434.48 g/mol. Its IUPAC name is N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound NameN-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
PubChem CID118947481
Molecular FormulaC21H18N6O3S
Molecular Weight434.48 g/mol
Exact Mass434.12
IUPAC NameN-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide
SMILESCN(c1ncccn1)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1
InChIInChI=1S/C21H18N6O3S/c1-27(21-22-12-5-13-23-21)31(29,30)17-10-8-16(9-11-17)24-20(28)19-14-18(25-26-19)15-6-3-2-4-7-15/h2-14H,1H3,(H,24,28)(H,25,26)
InChIKeyNKCFJRZWCNUHCA-UHFFFAOYSA-N
XLogP2.94
TPSA120.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.48
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The IUPAC name of N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide (CID 118947481) is N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide.
What is the SMILES notation for N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The canonical SMILES for N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide is CN(c1ncccn1)S(=O)(=O)c1ccc(NC(=O)c2cc(-c3ccccc3)n[nH]2)cc1.
What is the InChIKey of N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
The InChIKey is NKCFJRZWCNUHCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N6O3S/c1-27(21-22-12-5-13-23-21)31(29,30)17-10-8-16(9-11-17)24-20(28)19-14-18(25-26-19)15-6-3-2-4-7-15/h2-14H,1H3,(H,24,28)(H,25,26).
What are the key properties of N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide?
N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide has a molecular weight of 434.48 g/mol, XLogP of 2.94, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[methyl(pyrimidin-2-yl)sulfamoyl]phenyl]-3-phenyl-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118947481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).