4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide

C28H21N3O3S — CID 3627793

IUPAC4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(-c2ccccc2)c(-c2ccccc2)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H21N3O3S/c32-28(29-22-15-7-2-8-16-22)25-27(35(33,34)24-19-11-4-12-20-24)26(21-13-5-1-6-14-21)31(30-25)23-17-9-3-10-18-23/h1-20H,(H,29,32)
InChIKeyGYRHSBFBFFISDE-UHFFFAOYSA-N
MW479.56 g/mol
LogP5.62
Rot. Bonds6

About 4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide

4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide (PubChem CID 3627793) has the molecular formula C28H21N3O3S and a molecular weight of 479.56 g/mol. Its IUPAC name is 4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide.

Molecular Properties

Compound Name4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide
PubChem CID3627793
Molecular FormulaC28H21N3O3S
Molecular Weight479.56 g/mol
Exact Mass479.13
IUPAC Name4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide
SMILESO=C(Nc1ccccc1)c1nn(-c2ccccc2)c(-c2ccccc2)c1S(=O)(=O)c1ccccc1
InChIInChI=1S/C28H21N3O3S/c32-28(29-22-15-7-2-8-16-22)25-27(35(33,34)24-19-11-4-12-20-24)26(21-13-5-1-6-14-21)31(30-25)23-17-9-3-10-18-23/h1-20H,(H,29,32)
InChIKeyGYRHSBFBFFISDE-UHFFFAOYSA-N
XLogP5.62
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.56
LogP ≤ 55.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(4-acetylphenyl)-4-benzoyl-1,5-diphenylpyrazole-3-carboxamide
CID 45268760
4-benzoyl-1,5-diphenyl-N-(phenylcarbamoyl)pyrazole-3-carboxamide
CID 9498377
4-(4-bromophenyl)sulfonyl-1,3,5-triphenylpyrazole
CID 15359160
5-amino-3-N,1-diphenylpyrazole-3,4-dicarboxamide
CID 163894427
4-oxo-3-phenyl-N-(3-sulfamoylphenyl)phthalazine-1-carboxamide
CID 4020636
N,1-diphenyl-4,6-bis(sulfanylidene)-7H-pyrazolo[5,4-d]pyrimidine-3-carboxamide
CID 135747033
N-(3-methylphenyl)-1,5-diphenyltriazole-4-carboxamide
CID 16651444
5-(4-chlorophenyl)-4-(4-methylphenyl)sulfonyl-1,3-diphenylpyrazole
CID 15359150
phenyl-(1,4,5-triphenylpyrazol-3-yl)methanone
CID 59163086
4-benzyl-3,5-dioxo-N,2-diphenyl-1,2,4-triazine-6-carboxamide
CID 46149662
4-(2-bromoacetyl)-5-methyl-N,1-diphenylpyrazole-3-carboxamide
CID 24939286
ethyl 1-(3-nitrophenyl)-5-phenyl-3-[(4-sulfamoylphenyl)carbamoyl]pyrazole-4-carboxylate
CID 71508409

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide?
The IUPAC name of 4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide (CID 3627793) is 4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide.
What is the SMILES notation for 4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide?
The canonical SMILES for 4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide is O=C(Nc1ccccc1)c1nn(-c2ccccc2)c(-c2ccccc2)c1S(=O)(=O)c1ccccc1.
What is the InChIKey of 4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide?
The InChIKey is GYRHSBFBFFISDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O3S/c32-28(29-22-15-7-2-8-16-22)25-27(35(33,34)24-19-11-4-12-20-24)26(21-13-5-1-6-14-21)31(30-25)23-17-9-3-10-18-23/h1-20H,(H,29,32).
What are the key properties of 4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide?
4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 5.62, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonyl)-N,1,5-triphenylpyrazole-3-carboxamide is sourced from PubChem (CID 3627793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).