(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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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).