4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]benzenesulfonamide

C25H23N3O3S — CID 16588340

IUPAC4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C25H23N3O3S/c1-19(29)21-12-14-24(15-13-21)32(30,31)26-16-23-18-28(17-20-8-4-2-5-9-20)27-25(23)22-10-6-3-7-11-22/h2-15,18,26H,16-17H2,1H3
InChIKeyACAGOAXZBJHXQL-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.28
Rot. Bonds8

About 4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]benzenesulfonamide

4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]benzenesulfonamide (PubChem CID 16588340) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is 4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]benzenesulfonamide
PubChem CID16588340
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Name4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1
InChIInChI=1S/C25H23N3O3S/c1-19(29)21-12-14-24(15-13-21)32(30,31)26-16-23-18-28(17-20-8-4-2-5-9-20)27-25(23)22-10-6-3-7-11-22/h2-15,18,26H,16-17H2,1H3
InChIKeyACAGOAXZBJHXQL-UHFFFAOYSA-N
XLogP4.28
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-[(4-methylphenyl)sulfonylamino]propanamide
CID 24617685
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-(4-chlorophenyl)sulfonylacetamide
CID 24617701
4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-1H-pyrrole-2-carboxamide
CID 24616530
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-4-methoxy-2-nitrobenzenesulfonamide
CID 31110652
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]pyridine-4-carboxamide
CID 26117299
4-chloro-N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 19577912
N-[(1,3-diphenylpyrazol-4-yl)methyl]benzenesulfonamide
CID 22203873
(2R)-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-2-methoxypropanamide
CID 51966415
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-(methanesulfonamido)benzamide
CID 24610626
N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]cyclopropanecarboxamide
CID 17454174
2-acetamido-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]-3-methylbutanamide
CID 24610533
N-[2-[(1-benzyl-3-phenylpyrazol-4-yl)methylamino]ethyl]-2,2-dimethylpropanamide
CID 119123380

Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]benzenesulfonamide (CID 16588340) is 4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCc2cn(Cc3ccccc3)nc2-c2ccccc2)cc1.
What is the InChIKey of 4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is ACAGOAXZBJHXQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-19(29)21-12-14-24(15-13-21)32(30,31)26-16-23-18-28(17-20-8-4-2-5-9-20)27-25(23)22-10-6-3-7-11-22/h2-15,18,26H,16-17H2,1H3.
What are the key properties of 4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]benzenesulfonamide?
4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 445.54 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-[(1-benzyl-3-phenylpyrazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 16588340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).