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

C20H16N6O3S — CID 118947412

IUPAC3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H16N6O3S/c27-19(18-13-17(24-25-18)14-5-2-1-3-6-14)23-15-7-9-16(10-8-15)30(28,29)26-20-21-11-4-12-22-20/h1-13H,(H,23,27)(H,24,25)(H,21,22,26)
InChIKeyYSTOWQCPLIJFOU-UHFFFAOYSA-N
MW420.45 g/mol
LogP2.92
Rot. Bonds6

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

3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide (PubChem CID 118947412) has the molecular formula C20H16N6O3S and a molecular weight of 420.45 g/mol. Its IUPAC name is 3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide.

Molecular Properties

Compound Name3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
PubChem CID118947412
Molecular FormulaC20H16N6O3S
Molecular Weight420.45 g/mol
Exact Mass420.10
IUPAC Name3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide
SMILESO=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(-c2ccccc2)n[nH]1
InChIInChI=1S/C20H16N6O3S/c27-19(18-13-17(24-25-18)14-5-2-1-3-6-14)23-15-7-9-16(10-8-15)30(28,29)26-20-21-11-4-12-22-20/h1-13H,(H,23,27)(H,24,25)(H,21,22,26)
InChIKeyYSTOWQCPLIJFOU-UHFFFAOYSA-N
XLogP2.92
TPSA129.73 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 52.92
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide?
The IUPAC name of 3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide (CID 118947412) is 3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide.
What is the SMILES notation for 3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide?
The canonical SMILES for 3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide is O=C(Nc1ccc(S(=O)(=O)Nc2ncccn2)cc1)c1cc(-c2ccccc2)n[nH]1.
What is the InChIKey of 3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide?
The InChIKey is YSTOWQCPLIJFOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N6O3S/c27-19(18-13-17(24-25-18)14-5-2-1-3-6-14)23-15-7-9-16(10-8-15)30(28,29)26-20-21-11-4-12-22-20/h1-13H,(H,23,27)(H,24,25)(H,21,22,26).
What are the key properties of 3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide?
3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 2.92, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]-1H-pyrazole-5-carboxamide is sourced from PubChem (CID 118947412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).