4-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide

C22H18N4O3S — CID 153011787

IUPAC4-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide
SMILESO=C(Nc1cnn(-c2ccccc2)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H18N4O3S/c27-22(24-19-15-23-26(16-19)20-7-3-1-4-8-20)17-11-13-18(14-12-17)25-30(28,29)21-9-5-2-6-10-21/h1-16,25H,(H,24,27)
InChIKeyVAEVBQSUBIGLJX-UHFFFAOYSA-N
MW418.48 g/mol
LogP3.93
Rot. Bonds6

About 4-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide

4-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide (PubChem CID 153011787) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is 4-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide.

Molecular Properties

Compound Name4-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide
PubChem CID153011787
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC Name4-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide
SMILESO=C(Nc1cnn(-c2ccccc2)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1
InChIInChI=1S/C22H18N4O3S/c27-22(24-19-15-23-26(16-19)20-7-3-1-4-8-20)17-11-13-18(14-12-17)25-30(28,29)21-9-5-2-6-10-21/h1-16,25H,(H,24,27)
InChIKeyVAEVBQSUBIGLJX-UHFFFAOYSA-N
XLogP3.93
TPSA93.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

Pyrazolyl benzenesulfonamide derivative, 7a
CID 57411990
Pyrazolyl benzenesulfonamide derivative, 7b
CID 57411991
4-(Benzenesulfonyl-methyl-amino)-N-pyridin-3-yl-benzamide
CID 1118209
4-[[[3-(1-methylpyrazol-3-yl)phenyl]sulfonylamino]methyl]-N-pyridin-3-ylbenzamide
CID 70654733
N'-(benzenesulfonyl)-2-fluoro-5-(4-methylpyrazol-1-yl)benzohydrazide
CID 124132137
N'-(benzenesulfonyl)-3-fluoro-5-(4-methylpyrazol-1-yl)benzohydrazide
CID 135298571
N'-(benzenesulfonyl)-3-pyrazol-1-ylbenzohydrazide
CID 135298591
N'-(2-fluorophenyl)sulfonyl-3-pyrazol-1-ylbenzohydrazide
CID 135298595
N'-(2-fluorophenyl)sulfonyl-3-(4-methylpyrazol-1-yl)benzohydrazide
CID 135298640
N'-(benzenesulfonyl)-2-fluoro-5-pyrazol-1-ylbenzohydrazide
CID 135298776
N'-(2-fluorophenyl)sulfonyl-3-(4-fluoropyrazol-1-yl)benzohydrazide
CID 135298779
N-[3-(4-methylphenyl)-1-phenylpyrazol-4-yl]benzamide
CID 2104088

Frequently Asked Questions

What is the IUPAC name of 4-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide?
The IUPAC name of 4-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide (CID 153011787) is 4-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide.
What is the SMILES notation for 4-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide?
The canonical SMILES for 4-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide is O=C(Nc1cnn(-c2ccccc2)c1)c1ccc(NS(=O)(=O)c2ccccc2)cc1.
What is the InChIKey of 4-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide?
The InChIKey is VAEVBQSUBIGLJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c27-22(24-19-15-23-26(16-19)20-7-3-1-4-8-20)17-11-13-18(14-12-17)25-30(28,29)21-9-5-2-6-10-21/h1-16,25H,(H,24,27).
What are the key properties of 4-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide?
4-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide has a molecular weight of 418.48 g/mol, XLogP of 3.93, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(benzenesulfonamido)-N-(1-phenylpyrazol-4-yl)benzamide is sourced from PubChem (CID 153011787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).