4-(benzenesulfonylmethyl)-N-(1-benzylpyrazol-4-yl)benzamide

C24H21N3O3S — CID 55948742

IUPAC4-(benzenesulfonylmethyl)-N-(1-benzylpyrazol-4-yl)benzamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1ccc(CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H21N3O3S/c28-24(26-22-15-25-27(17-22)16-19-7-3-1-4-8-19)21-13-11-20(12-14-21)18-31(29,30)23-9-5-2-6-10-23/h1-15,17H,16,18H2,(H,26,28)
InChIKeyMGPISWIQXPBPLV-UHFFFAOYSA-N
MW431.52 g/mol
LogP4.16
Rot. Bonds7

About 4-(benzenesulfonylmethyl)-N-(1-benzylpyrazol-4-yl)benzamide

4-(benzenesulfonylmethyl)-N-(1-benzylpyrazol-4-yl)benzamide (PubChem CID 55948742) has the molecular formula C24H21N3O3S and a molecular weight of 431.52 g/mol. Its IUPAC name is 4-(benzenesulfonylmethyl)-N-(1-benzylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonylmethyl)-N-(1-benzylpyrazol-4-yl)benzamide
PubChem CID55948742
Molecular FormulaC24H21N3O3S
Molecular Weight431.52 g/mol
Exact Mass431.13
IUPAC Name4-(benzenesulfonylmethyl)-N-(1-benzylpyrazol-4-yl)benzamide
SMILESO=C(Nc1cnn(Cc2ccccc2)c1)c1ccc(CS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C24H21N3O3S/c28-24(26-22-15-25-27(17-22)16-19-7-3-1-4-8-19)21-13-11-20(12-14-21)18-31(29,30)23-9-5-2-6-10-23/h1-15,17H,16,18H2,(H,26,28)
InChIKeyMGPISWIQXPBPLV-UHFFFAOYSA-N
XLogP4.16
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.52
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-N-(1-benzylpyrazol-4-yl)-4-N,4-N-diethylbenzene-1,4-dicarboxamide
CID 166194202
N-(1-benzylpyrazol-4-yl)-6-chloropyridine-3-carboxamide
CID 60526938
3,5-diacetamido-N-(1-benzylpyrazol-4-yl)benzamide
CID 60552582
N-(1-benzylpyrazol-4-yl)-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 60552845
N-(1-benzylpyrazol-4-yl)-1-ethylpyrazole-4-carboxamide
CID 19395795
N-(1-benzylpyrazol-4-yl)-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 55946939
N-(1-benzylpyrazol-4-yl)-7,8-dihydronaphthalene-2-carboxamide
CID 100646183
4-fluoro-N-[1-[(3-fluorophenyl)methyl]pyrazol-4-yl]benzamide
CID 19338140
N-(1-benzylpyrazol-4-yl)-4-chloro-3-nitrobenzamide
CID 19397600
N-(1-benzylpyrazol-4-yl)-2-(difluoromethyl)pyrazole-3-carboxamide
CID 19395890
4-phenyl-N-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]benzamide
CID 19346921
N-(1-benzylpyrazol-4-yl)-1-methyl-2-oxo-3H-benzimidazole-5-carboxamide
CID 86844636

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonylmethyl)-N-(1-benzylpyrazol-4-yl)benzamide?
The IUPAC name of 4-(benzenesulfonylmethyl)-N-(1-benzylpyrazol-4-yl)benzamide (CID 55948742) is 4-(benzenesulfonylmethyl)-N-(1-benzylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-(benzenesulfonylmethyl)-N-(1-benzylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-(benzenesulfonylmethyl)-N-(1-benzylpyrazol-4-yl)benzamide is O=C(Nc1cnn(Cc2ccccc2)c1)c1ccc(CS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonylmethyl)-N-(1-benzylpyrazol-4-yl)benzamide?
The InChIKey is MGPISWIQXPBPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N3O3S/c28-24(26-22-15-25-27(17-22)16-19-7-3-1-4-8-19)21-13-11-20(12-14-21)18-31(29,30)23-9-5-2-6-10-23/h1-15,17H,16,18H2,(H,26,28).
What are the key properties of 4-(benzenesulfonylmethyl)-N-(1-benzylpyrazol-4-yl)benzamide?
4-(benzenesulfonylmethyl)-N-(1-benzylpyrazol-4-yl)benzamide has a molecular weight of 431.52 g/mol, XLogP of 4.16, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonylmethyl)-N-(1-benzylpyrazol-4-yl)benzamide is sourced from PubChem (CID 55948742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).