N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide

C24H22N10O3S — CID 19268919

About N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide (PubChem CID 19268919) has the molecular formula C24H22N10O3S and a molecular weight of 530.57 g/mol. Its IUPAC name is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide.

Molecular Properties

• Compound Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
• PubChem CID: 19268919
• Molecular Formula: C24H22N10O3S
• Molecular Weight: 530.57 g/mol
• Exact Mass: 530.16
• IUPAC Name: N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide
• SMILES: Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccn(Cn4nnc(-c5ccccc5)n4)n3)cc2)n1
• InChI: InChI=1S/C24H22N10O3S/c1-16-14-17(2)26-24(25-16)31-38(36,37)20-10-8-19(9-11-20)27-23(35)21-12-13-33(29-21)15-34-30-22(28-32-34)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,27,35)(H,25,26,31)
• InChIKey: NGDJEVALNMGDAU-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 162.47 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 11
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	530.57
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide?

The IUPAC name of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide (CID 19268919) is N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide.

What is the SMILES notation for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide?

The canonical SMILES for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide is Cc1cc(C)nc(NS(=O)(=O)c2ccc(NC(=O)c3ccn(Cn4nnc(-c5ccccc5)n4)n3)cc2)n1.

What is the InChIKey of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide?

The InChIKey is NGDJEVALNMGDAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N10O3S/c1-16-14-17(2)26-24(25-16)31-38(36,37)20-10-8-19(9-11-20)27-23(35)21-12-13-33(29-21)15-34-30-22(28-32-34)18-6-4-3-5-7-18/h3-14H,15H2,1-2H3,(H,27,35)(H,25,26,31).

What are the key properties of N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide?

N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide has a molecular weight of 530.57 g/mol, XLogP of 2.50, 8 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[4-[(4,6-dimethylpyrimidin-2-yl)sulfamoyl]phenyl]-1-[(5-phenyltetrazol-2-yl)methyl]pyrazole-3-carboxamide is sourced from PubChem (CID 19268919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).