4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide

C25H20ClN3O3S — CID 11145237

IUPAC4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)/C=C/c3ccc(Cl)cc3)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C25H20ClN3O3S/c1-18-17-25(29(27-18)22-5-3-2-4-6-22)28-33(31,32)23-14-10-20(11-15-23)24(30)16-9-19-7-12-21(26)13-8-19/h2-17,28H,1H3/b16-9+
InChIKeyRRQWPMLQZVHJTA-CXUHLZMHSA-N
MW477.97 g/mol
LogP5.53
Rot. Bonds7

About 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide

4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide (PubChem CID 11145237) has the molecular formula C25H20ClN3O3S and a molecular weight of 477.97 g/mol. Its IUPAC name is 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide
PubChem CID11145237
Molecular FormulaC25H20ClN3O3S
Molecular Weight477.97 g/mol
Exact Mass477.09
IUPAC Name4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(C(=O)/C=C/c3ccc(Cl)cc3)cc2)n(-c2ccccc2)n1
InChIInChI=1S/C25H20ClN3O3S/c1-18-17-25(29(27-18)22-5-3-2-4-6-22)28-33(31,32)23-14-10-20(11-15-23)24(30)16-9-19-7-12-21(26)13-8-19/h2-17,28H,1H3/b16-9+
InChIKeyRRQWPMLQZVHJTA-CXUHLZMHSA-N
XLogP5.53
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.97
LogP ≤ 55.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 4-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate
CID 138994557
4-chloro-N-[3-[(E)-3-(4-methylphenyl)prop-2-enoyl]phenyl]benzenesulfonamide
CID 164991541
(Z)-3-(4-chlorophenyl)-1-phenylprop-2-en-1-one
CID 7292267
(2S)-2-[[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenyl]sulfonylamino]propanoate
CID 7811833
3-bromo-4-cyano-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide
CID 139010719
methyl 3-[[2-(3-chlorophenyl)-5-methylpyrazol-3-yl]sulfamoyl]benzoate
CID 138994607
N-[2-[4-(benzenesulfonamido)phenyl]-5-methylpyrazol-3-yl]acetamide
CID 43069485
(E)-1-(4-chlorophenyl)-3-(3-methyl-1-phenyl-5-phenylsulfanylpyrazol-4-yl)prop-2-en-1-one
CID 51350080
methyl 4-methyl-3-[(5-methyl-2-phenylpyrazol-3-yl)sulfamoyl]benzoate
CID 167852846
1-[4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]phenyl]-3-(4-chlorophenyl)sulfonylurea
CID 16734964
5-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-2-phenylpyridazin-3-one
CID 52912628
1-methyl-N-(5-methyl-2-phenylpyrazol-3-yl)pyrazole-4-sulfonamide
CID 155945046

Frequently Asked Questions

What is the IUPAC name of 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide?
The IUPAC name of 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide (CID 11145237) is 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide?
The canonical SMILES for 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(C(=O)/C=C/c3ccc(Cl)cc3)cc2)n(-c2ccccc2)n1.
What is the InChIKey of 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide?
The InChIKey is RRQWPMLQZVHJTA-CXUHLZMHSA-N. The full InChI is InChI=1S/C25H20ClN3O3S/c1-18-17-25(29(27-18)22-5-3-2-4-6-22)28-33(31,32)23-14-10-20(11-15-23)24(30)16-9-19-7-12-21(26)13-8-19/h2-17,28H,1H3/b16-9+.
What are the key properties of 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide?
4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide has a molecular weight of 477.97 g/mol, XLogP of 5.53, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-3-(4-chlorophenyl)prop-2-enoyl]-N-(5-methyl-2-phenylpyrazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 11145237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).