2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-phenylacetamide

C29H24N4O4S2 — CID 21169947

IUPAC2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-phenylacetamide
SMILESO=C(NC1=NN(c2ccccc2)C(=O)C1)C(Sc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C29H24N4O4S2/c34-27-20-26(31-33(27)23-12-6-2-7-13-23)30-29(35)28(21-10-4-1-5-11-21)38-24-18-16-22(17-19-24)32-39(36,37)25-14-8-3-9-15-25/h1-19,28,32H,20H2,(H,30,31,35)
InChIKeyUFUMHNFSXLUVIU-UHFFFAOYSA-N
MW556.67 g/mol
LogP5.19
Rot. Bonds8

About 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-phenylacetamide

2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-phenylacetamide (PubChem CID 21169947) has the molecular formula C29H24N4O4S2 and a molecular weight of 556.67 g/mol. Its IUPAC name is 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-phenylacetamide
PubChem CID21169947
Molecular FormulaC29H24N4O4S2
Molecular Weight556.67 g/mol
Exact Mass556.12
IUPAC Name2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-phenylacetamide
SMILESO=C(NC1=NN(c2ccccc2)C(=O)C1)C(Sc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1
InChIInChI=1S/C29H24N4O4S2/c34-27-20-26(31-33(27)23-12-6-2-7-13-23)30-29(35)28(21-10-4-1-5-11-21)38-24-18-16-22(17-19-24)32-39(36,37)25-14-8-3-9-15-25/h1-19,28,32H,20H2,(H,30,31,35)
InChIKeyUFUMHNFSXLUVIU-UHFFFAOYSA-N
XLogP5.19
TPSA107.94 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500556.67
LogP ≤ 55.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_5_B(4)', 'substructure': 'N/A'}

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Related Compounds

2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-bromophenyl)-2-phenylacetamide
CID 21169748
N-[4-[(4-methylphenyl)sulfamoyl]phenyl]-2-phenyl-2-phenylsulfanylacetamide
CID 2953057
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-phenoxyphenyl)-2-phenylacetamide
CID 21170426
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2-chlorophenyl)-2-phenylacetamide
CID 23100906
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-2-phenyl-N-pyridin-4-ylacetamide
CID 23098993
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(2,4-dimethylphenyl)-2-phenylacetamide
CID 23100322
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
CID 23099752
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(9,10-dioxoanthracen-1-yl)-2-phenylacetamide
CID 21171584
N-[(Z)-1-(4-chlorophenyl)-3-oxo-3-[4-[2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]-1-phenylethyl]sulfanylanilino]prop-1-en-2-yl]benzamide
CID 19713659
2-fluoro-N-[3-[2-oxo-2-[(5-oxo-1-phenyl-4H-pyrazol-3-yl)amino]-1-phenylethyl]sulfanylphenyl]benzamide
CID 18913049
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-naphthalen-2-yl-2-phenylacetamide
CID 21168898
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(3-chloro-2-methylphenyl)-2-phenylacetamide
CID 21167685

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-phenylacetamide?
The IUPAC name of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-phenylacetamide (CID 21169947) is 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-phenylacetamide.
What is the SMILES notation for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-phenylacetamide?
The canonical SMILES for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-phenylacetamide is O=C(NC1=NN(c2ccccc2)C(=O)C1)C(Sc1ccc(NS(=O)(=O)c2ccccc2)cc1)c1ccccc1.
What is the InChIKey of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-phenylacetamide?
The InChIKey is UFUMHNFSXLUVIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O4S2/c34-27-20-26(31-33(27)23-12-6-2-7-13-23)30-29(35)28(21-10-4-1-5-11-21)38-24-18-16-22(17-19-24)32-39(36,37)25-14-8-3-9-15-25/h1-19,28,32H,20H2,(H,30,31,35).
What are the key properties of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-phenylacetamide?
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-phenylacetamide has a molecular weight of 556.67 g/mol, XLogP of 5.19, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-oxo-1-phenyl-4H-pyrazol-3-yl)-2-phenylacetamide is sourced from PubChem (CID 21169947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).