(E)-3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(4-sulfamoylphenyl)prop-2-enamide

C24H19ClN4O3S — CID 2471485

IUPAC(E)-3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C24H19ClN4O3S/c25-19-6-4-5-17(15-19)24-18(16-29(28-24)21-7-2-1-3-8-21)9-14-23(30)27-20-10-12-22(13-11-20)33(26,31)32/h1-16H,(H,27,30)(H2,26,31,32)/b14-9+
InChIKeyLYNKGUWFJBNXGW-NTEUORMPSA-N
MW478.96 g/mol
LogP4.49
Rot. Bonds6

About (E)-3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(4-sulfamoylphenyl)prop-2-enamide

(E)-3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(4-sulfamoylphenyl)prop-2-enamide (PubChem CID 2471485) has the molecular formula C24H19ClN4O3S and a molecular weight of 478.96 g/mol. Its IUPAC name is (E)-3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(4-sulfamoylphenyl)prop-2-enamide.

Molecular Properties

Compound Name(E)-3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(4-sulfamoylphenyl)prop-2-enamide
PubChem CID2471485
Molecular FormulaC24H19ClN4O3S
Molecular Weight478.96 g/mol
Exact Mass478.09
IUPAC Name(E)-3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(4-sulfamoylphenyl)prop-2-enamide
SMILESNS(=O)(=O)c1ccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)cc1
InChIInChI=1S/C24H19ClN4O3S/c25-19-6-4-5-17(15-19)24-18(16-29(28-24)21-7-2-1-3-8-21)9-14-23(30)27-20-10-12-22(13-11-20)33(26,31)32/h1-16H,(H,27,30)(H2,26,31,32)/b14-9+
InChIKeyLYNKGUWFJBNXGW-NTEUORMPSA-N
XLogP4.49
TPSA107.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.96
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

4-(3-{3-[3-(4-Chloro-phenyl)-ureido]-propyl}-5-phenyl-pyrazol-1-yl)-benzenesulfonamide
CID 52951866
4-[4-(2-Acetyl-5-phenyl-3,4-dihydropyrazol-3-yl)-5-chloro-3-methylpyrazol-1-yl]benzenesulfonamide
CID 122184933
4-[4-[2-Acetyl-5-(4-methylphenyl)-3,4-dihydropyrazol-3-yl]-5-chloro-3-methylpyrazol-1-yl]benzenesulfonamide
CID 122184934
4-[4-[2-Acetyl-5-(4-chlorophenyl)-3,4-dihydropyrazol-3-yl]-5-chloro-3-methylpyrazol-1-yl]benzenesulfonamide
CID 122184937
N'-[4-[4-[(Z)-[(Z)-[3-(4-chlorophenyl)-4-oxo-1,3-thiazolidin-2-ylidene]hydrazinylidene]methyl]-3-phenylpyrazol-1-yl]phenyl]sulfonyl-N,N-dimethylmethanimidamide
CID 24816406
3-(4-Chlorophenyl)-1-(4-sulfamoylphenyl)pyrazole-4-carboxamide
CID 57411993
2-[3-[4-[2-(3-chlorophenyl)ethynyl]phenyl]-1-phenylpyrazol-4-yl]-N-(4-chlorophenyl)sulfonylacetamide
CID 71451785
N-(4-chlorophenyl)sulfonyl-2-[1-phenyl-3-[4-(2-phenylethynyl)phenyl]pyrazol-4-yl]acetamide
CID 71460772
4-[3-(4-Chlorophenyl)-4-(hydrazinecarbonyl)pyrazol-1-yl]benzenesulfonamide
CID 76329098
3-[(4-chlorophenyl)sulfonylamino]-N-[1-(4-methylphenyl)pyrazol-4-yl]benzamide
CID 155528441
1-(4-chlorophenyl)-5-methyl-N-[[4-(methylsulfamoyl)phenyl]methyl]pyrazole-4-carboxamide
CID 155561040
N-[4-({[1-(2-chlorobenzyl)-1H-pyrazol-3-yl]amino}sulfonyl)phenyl]acetamide
CID 1017937

Frequently Asked Questions

What is the IUPAC name of (E)-3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(4-sulfamoylphenyl)prop-2-enamide?
The IUPAC name of (E)-3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(4-sulfamoylphenyl)prop-2-enamide (CID 2471485) is (E)-3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(4-sulfamoylphenyl)prop-2-enamide.
What is the SMILES notation for (E)-3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(4-sulfamoylphenyl)prop-2-enamide?
The canonical SMILES for (E)-3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(4-sulfamoylphenyl)prop-2-enamide is NS(=O)(=O)c1ccc(NC(=O)/C=C/c2cn(-c3ccccc3)nc2-c2cccc(Cl)c2)cc1.
What is the InChIKey of (E)-3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(4-sulfamoylphenyl)prop-2-enamide?
The InChIKey is LYNKGUWFJBNXGW-NTEUORMPSA-N. The full InChI is InChI=1S/C24H19ClN4O3S/c25-19-6-4-5-17(15-19)24-18(16-29(28-24)21-7-2-1-3-8-21)9-14-23(30)27-20-10-12-22(13-11-20)33(26,31)32/h1-16H,(H,27,30)(H2,26,31,32)/b14-9+.
What are the key properties of (E)-3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(4-sulfamoylphenyl)prop-2-enamide?
(E)-3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(4-sulfamoylphenyl)prop-2-enamide has a molecular weight of 478.96 g/mol, XLogP of 4.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-3-[3-(3-chlorophenyl)-1-phenylpyrazol-4-yl]-N-(4-sulfamoylphenyl)prop-2-enamide is sourced from PubChem (CID 2471485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).