N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]benzamide

C22H18N4O3S — CID 56659817

IUPACN-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]benzamide
SMILESO=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)[nH]n1)c1ccccc1
InChIInChI=1S/C22H18N4O3S/c27-22(16-8-3-1-4-9-16)23-21-15-20(24-25-21)17-10-7-11-18(14-17)26-30(28,29)19-12-5-2-6-13-19/h1-15,26H,(H2,23,24,25,27)
InChIKeyWZFLZUYBXNOPEA-UHFFFAOYSA-N
MW418.48 g/mol
LogP4.13
Rot. Bonds6

About N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]benzamide

N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]benzamide (PubChem CID 56659817) has the molecular formula C22H18N4O3S and a molecular weight of 418.48 g/mol. Its IUPAC name is N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]benzamide.

Molecular Properties

Compound NameN-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]benzamide
PubChem CID56659817
Molecular FormulaC22H18N4O3S
Molecular Weight418.48 g/mol
Exact Mass418.11
IUPAC NameN-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]benzamide
SMILESO=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)[nH]n1)c1ccccc1
InChIInChI=1S/C22H18N4O3S/c27-22(16-8-3-1-4-9-16)23-21-15-20(24-25-21)17-10-7-11-18(14-17)26-30(28,29)19-12-5-2-6-13-19/h1-15,26H,(H2,23,24,25,27)
InChIKeyWZFLZUYBXNOPEA-UHFFFAOYSA-N
XLogP4.13
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.48
LogP ≤ 54.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-Phenylacetamidoaminopyrazole deriv. 39
CID 6538741
Anilinopyrazole deriv. 1n
CID 6539622
4-{[3-(3-benzenesulfonamidophenyl)-1H-pyrazol-5-yl]amino}benzene-1-sulfonamide
CID 6539623
4-[(5-Methyl-1h-Pyrazol-3-Yl)amino]-2-Phenylphthalazin-1(2h)-One
CID 11652621
N1-(3-phenyl-1H-pyrazol-5-yl)-2-fluorobenzamide
CID 339733
N1-(3-phenyl-1H-pyrazol-5-yl)benzamide
CID 339735
N-[6-(4-sulfamoylphenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539597
N-[6-(3-sulfamoylphenyl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539598
2-(4-Toluylsulfonate)-4-(5-methyl-1H-pyrazol-3-ylamino)-2H-phthalazin-1-one
CID 11611230
4-(5-Methyl-1h-pyrazol-3-ylamino)-2-m-tolyl-2h-phthalazin-1-one
CID 11645638
N-(5-(3,5-difluorophenylsulfonyl)-4,5,6,7-tetrahydro-1H-pyrazolo[4,3-c]pyridin-3-yl)-4-(4-methylpiperazin-1-yl)benzamide
CID 16730088
N-[5-(4-methylphenyl)sulfonyl-4,6-dihydro-1H-pyrrolo[3,4-d]pyrazol-3-yl]-4-(4-methylpiperazin-1-yl)benzamide
CID 24752167

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]benzamide?
The IUPAC name of N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]benzamide (CID 56659817) is N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]benzamide.
What is the SMILES notation for N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]benzamide?
The canonical SMILES for N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]benzamide is O=C(Nc1cc(-c2cccc(NS(=O)(=O)c3ccccc3)c2)[nH]n1)c1ccccc1.
What is the InChIKey of N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]benzamide?
The InChIKey is WZFLZUYBXNOPEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H18N4O3S/c27-22(16-8-3-1-4-9-16)23-21-15-20(24-25-21)17-10-7-11-18(14-17)26-30(28,29)19-12-5-2-6-13-19/h1-15,26H,(H2,23,24,25,27).
What are the key properties of N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]benzamide?
N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]benzamide has a molecular weight of 418.48 g/mol, XLogP of 4.13, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(benzenesulfonamido)phenyl]-1H-pyrazol-3-yl]benzamide is sourced from PubChem (CID 56659817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).