4-benzoyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide

C34H26N6O4S — CID 171662617

IUPAC4-benzoyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3nn(-c4ccccc4)c(-c4ccccc4)c3C(=O)c3ccccc3)cc2)n1
InChIInChI=1S/C34H26N6O4S/c1-23-21-22-35-34(36-23)39-45(43,44)28-19-17-26(18-20-28)37-33(42)30-29(32(41)25-13-7-3-8-14-25)31(24-11-5-2-6-12-24)40(38-30)27-15-9-4-10-16-27/h2-22H,1H3,(H,37,42)(H,35,36,39)
InChIKeyAFPDVLHAKUJROK-UHFFFAOYSA-N
MW614.69 g/mol
LogP5.92
Rot. Bonds9

About 4-benzoyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide

4-benzoyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide (PubChem CID 171662617) has the molecular formula C34H26N6O4S and a molecular weight of 614.69 g/mol. Its IUPAC name is 4-benzoyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-benzoyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide
PubChem CID171662617
Molecular FormulaC34H26N6O4S
Molecular Weight614.69 g/mol
Exact Mass614.17
IUPAC Name4-benzoyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide
SMILESCc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3nn(-c4ccccc4)c(-c4ccccc4)c3C(=O)c3ccccc3)cc2)n1
InChIInChI=1S/C34H26N6O4S/c1-23-21-22-35-34(36-23)39-45(43,44)28-19-17-26(18-20-28)37-33(42)30-29(32(41)25-13-7-3-8-14-25)31(24-11-5-2-6-12-24)40(38-30)27-15-9-4-10-16-27/h2-22H,1H3,(H,37,42)(H,35,36,39)
InChIKeyAFPDVLHAKUJROK-UHFFFAOYSA-N
XLogP5.92
TPSA135.94 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500614.69
LogP ≤ 55.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyrimidin-2-yl]-amide
CID 9982428
N-[5-(2-Sulfamoylphenyl)-2-pyrimidinyl]-1-(3-amidinophenyl)-3-(trifluoromethyl)-1H-pyrazole-5-carboxamide
CID 10119254
2-(3-Carbamimidoyl-phenyl)-5-methyl-2H-pyrazole-3-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyridin-2-yl]-amide
CID 10719336
2-(3-Fluoro-naphthalen-2-yl)-5-methyl-2H-pyrazole-3-carboxylic acid [5-(2-sulfamoyl-phenyl)-pyrimidin-2-yl]-amide
CID 21366554
2,6-difluoro-N-[3-[3-[2-(4-sulfamoylanilino)pyrimidin-4-yl]pyrazolo[1,5-a]pyridin-2-yl]phenyl]benzamide
CID 44528947
4-[[1-(4-aminobenzoyl)-3-methyl-5-oxo-4H-pyrazol-4-yl]diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 46226667
4-[(1-benzoyl-3-methyl-5-oxo-4H-pyrazol-4-yl)diazenyl]-N-pyrimidin-2-ylbenzenesulfonamide
CID 46226710
1-(6-aminopyridin-3-yl)-3-methyl-N-[4-(2-sulfamoylphenyl)phenyl]-1H-pyrazole-5-carboxamide
CID 11762113
N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 2147304
1-(3-methylphenyl)-N-{4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl}-4-oxo-1,4-dihydropyridazine-3-carboxamide
CID 16452548
8-(Cyclopentylamino)-1-(4-sulfamoylphenyl)-4,5-dihydropyrazolo[4,5-h]quinazoline-3-carboxamide
CID 45139612
1-[[4-(diethylsulfamoyl)phenyl]methyl]-N-pyrimidin-4-ylindazole-3-carboxamide
CID 91800613

Frequently Asked Questions

What is the IUPAC name of 4-benzoyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide?
The IUPAC name of 4-benzoyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide (CID 171662617) is 4-benzoyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-benzoyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide?
The canonical SMILES for 4-benzoyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide is Cc1ccnc(NS(=O)(=O)c2ccc(NC(=O)c3nn(-c4ccccc4)c(-c4ccccc4)c3C(=O)c3ccccc3)cc2)n1.
What is the InChIKey of 4-benzoyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide?
The InChIKey is AFPDVLHAKUJROK-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H26N6O4S/c1-23-21-22-35-34(36-23)39-45(43,44)28-19-17-26(18-20-28)37-33(42)30-29(32(41)25-13-7-3-8-14-25)31(24-11-5-2-6-12-24)40(38-30)27-15-9-4-10-16-27/h2-22H,1H3,(H,37,42)(H,35,36,39).
What are the key properties of 4-benzoyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide?
4-benzoyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide has a molecular weight of 614.69 g/mol, XLogP of 5.92, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzoyl-N-[4-[(4-methylpyrimidin-2-yl)sulfamoyl]phenyl]-1,5-diphenylpyrazole-3-carboxamide is sourced from PubChem (CID 171662617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).