2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzamide

C23H20N4O3S — CID 44607510

IUPAC2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzamide
SMILESNC(=O)c1ccccc1NS(=O)(=O)c1cccc(-c2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C23H20N4O3S/c24-23(28)21-11-4-5-12-22(21)26-31(29,30)20-10-6-9-18(13-20)19-14-25-27(16-19)15-17-7-2-1-3-8-17/h1-14,16,26H,15H2,(H2,24,28)
InChIKeyMAVLEFCJGJGCMS-UHFFFAOYSA-N
MW432.51 g/mol
LogP3.50
Rot. Bonds7

About 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzamide

2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzamide (PubChem CID 44607510) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzamide.

Molecular Properties

Compound Name2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzamide
PubChem CID44607510
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzamide
SMILESNC(=O)c1ccccc1NS(=O)(=O)c1cccc(-c2cnn(Cc3ccccc3)c2)c1
InChIInChI=1S/C23H20N4O3S/c24-23(28)21-11-4-5-12-22(21)26-31(29,30)20-10-6-9-18(13-20)19-14-25-27(16-19)15-17-7-2-1-3-8-17/h1-14,16,26H,15H2,(H2,24,28)
InChIKeyMAVLEFCJGJGCMS-UHFFFAOYSA-N
XLogP3.50
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[5-(dimethylsulfamoyl)-2-methylphenyl]-1-phenyl-5-propyl-1H-pyrazole-4-carboxamide
CID 2812918
Pyrazolyl benzenesulfonamide derivative, 7a
CID 57411990
Pyrazolyl benzenesulfonamide derivative, 7b
CID 57411991
3-Cyclopropyl-5-[[2'-(phenylcarbonylaminosulfonyl)-1,1'-biphenyl-4-yl]methyl]-1-propyl-1H-pyrazole-4-carboxamide
CID 10506677
2-((3-(1-Benzyl-1H-pyrazol-4-yl)phenyl)sulfonamido)benzoic acid
CID 44607341
N'-(benzenesulfonyl)-3-pyrazol-1-ylbenzohydrazide
CID 135298591
N-methyl-3-[methyl-(4-methylphenyl)sulfamoyl]-N-[(1-phenylpyrazol-4-yl)methyl]benzamide
CID 16322478
N-[3-(3,4-dihydro-2H-pyrrol-5-ylsulfamoyl)phenyl]-3-(4-methylphenyl)-1-phenylpyrazole-4-carboxamide
CID 16386803
2-[3-(1-Benzyl-1H-pyrazol-3-yl)-benzenesulfonylamino]-4-fluoro-benzoic acid
CID 44604808
4-[3-(4-Fluorophenyl)-4-(hydrazinecarbonyl)pyrazol-1-yl]benzenesulfonamide
CID 76318218
4-[4-(Hydrazinecarbonyl)-3-(4-methylphenyl)pyrazol-1-yl]benzenesulfonamide
CID 76321907
4-[4-(Hydrazinecarbonyl)-3-phenylpyrazol-1-yl]benzenesulfonamide
CID 76325548

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzamide?
The IUPAC name of 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzamide (CID 44607510) is 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzamide.
What is the SMILES notation for 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzamide?
The canonical SMILES for 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzamide is NC(=O)c1ccccc1NS(=O)(=O)c1cccc(-c2cnn(Cc3ccccc3)c2)c1.
What is the InChIKey of 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzamide?
The InChIKey is MAVLEFCJGJGCMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c24-23(28)21-11-4-5-12-22(21)26-31(29,30)20-10-6-9-18(13-20)19-14-25-27(16-19)15-17-7-2-1-3-8-17/h1-14,16,26H,15H2,(H2,24,28).
What are the key properties of 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzamide?
2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzamide has a molecular weight of 432.51 g/mol, XLogP of 3.50, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(1-benzylpyrazol-4-yl)phenyl]sulfonylamino]benzamide is sourced from PubChem (CID 44607510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).