4-[2-[(3Z)-3-[(4-chlorophenyl)methylidene]-5-naphthalen-2-yl-2-oxopyrrol-1-yl]ethyl]benzenesulfonamide

C29H23ClN2O3S — CID 155807558

IUPAC4-[2-[(3Z)-3-[(4-chlorophenyl)methylidene]-5-naphthalen-2-yl-2-oxopyrrol-1-yl]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCN2C(=O)/C(=C\c3ccc(Cl)cc3)C=C2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C29H23ClN2O3S/c30-26-11-5-21(6-12-26)17-25-19-28(24-10-9-22-3-1-2-4-23(22)18-24)32(29(25)33)16-15-20-7-13-27(14-8-20)36(31,34)35/h1-14,17-19H,15-16H2,(H2,31,34,35)/b25-17-
InChIKeyCDGTWSYQXRANGZ-UQQQWYQISA-N
MW515.03 g/mol
LogP5.65
Rot. Bonds6

About 4-[2-[(3Z)-3-[(4-chlorophenyl)methylidene]-5-naphthalen-2-yl-2-oxopyrrol-1-yl]ethyl]benzenesulfonamide

4-[2-[(3Z)-3-[(4-chlorophenyl)methylidene]-5-naphthalen-2-yl-2-oxopyrrol-1-yl]ethyl]benzenesulfonamide (PubChem CID 155807558) has the molecular formula C29H23ClN2O3S and a molecular weight of 515.03 g/mol. Its IUPAC name is 4-[2-[(3Z)-3-[(4-chlorophenyl)methylidene]-5-naphthalen-2-yl-2-oxopyrrol-1-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[(3Z)-3-[(4-chlorophenyl)methylidene]-5-naphthalen-2-yl-2-oxopyrrol-1-yl]ethyl]benzenesulfonamide
PubChem CID155807558
Molecular FormulaC29H23ClN2O3S
Molecular Weight515.03 g/mol
Exact Mass514.11
IUPAC Name4-[2-[(3Z)-3-[(4-chlorophenyl)methylidene]-5-naphthalen-2-yl-2-oxopyrrol-1-yl]ethyl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(CCN2C(=O)/C(=C\c3ccc(Cl)cc3)C=C2c2ccc3ccccc3c2)cc1
InChIInChI=1S/C29H23ClN2O3S/c30-26-11-5-21(6-12-26)17-25-19-28(24-10-9-22-3-1-2-4-23(22)18-24)32(29(25)33)16-15-20-7-13-27(14-8-20)36(31,34)35/h1-14,17-19H,15-16H2,(H2,31,34,35)/b25-17-
InChIKeyCDGTWSYQXRANGZ-UQQQWYQISA-N
XLogP5.65
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500515.03
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'ene_five_het_C(85)', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 4-[2-[(3Z)-3-[(4-chlorophenyl)methylidene]-5-naphthalen-2-yl-2-oxopyrrol-1-yl]ethyl]benzenesulfonamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(3Z)-3-[(4-chlorophenyl)methylidene]-5-naphthalen-2-yl-2-oxopyrrol-1-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[(3Z)-3-[(4-chlorophenyl)methylidene]-5-naphthalen-2-yl-2-oxopyrrol-1-yl]ethyl]benzenesulfonamide (CID 155807558) is 4-[2-[(3Z)-3-[(4-chlorophenyl)methylidene]-5-naphthalen-2-yl-2-oxopyrrol-1-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[(3Z)-3-[(4-chlorophenyl)methylidene]-5-naphthalen-2-yl-2-oxopyrrol-1-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[(3Z)-3-[(4-chlorophenyl)methylidene]-5-naphthalen-2-yl-2-oxopyrrol-1-yl]ethyl]benzenesulfonamide is NS(=O)(=O)c1ccc(CCN2C(=O)/C(=C\c3ccc(Cl)cc3)C=C2c2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-[2-[(3Z)-3-[(4-chlorophenyl)methylidene]-5-naphthalen-2-yl-2-oxopyrrol-1-yl]ethyl]benzenesulfonamide?
The InChIKey is CDGTWSYQXRANGZ-UQQQWYQISA-N. The full InChI is InChI=1S/C29H23ClN2O3S/c30-26-11-5-21(6-12-26)17-25-19-28(24-10-9-22-3-1-2-4-23(22)18-24)32(29(25)33)16-15-20-7-13-27(14-8-20)36(31,34)35/h1-14,17-19H,15-16H2,(H2,31,34,35)/b25-17-.
What are the key properties of 4-[2-[(3Z)-3-[(4-chlorophenyl)methylidene]-5-naphthalen-2-yl-2-oxopyrrol-1-yl]ethyl]benzenesulfonamide?
4-[2-[(3Z)-3-[(4-chlorophenyl)methylidene]-5-naphthalen-2-yl-2-oxopyrrol-1-yl]ethyl]benzenesulfonamide has a molecular weight of 515.03 g/mol, XLogP of 5.65, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(3Z)-3-[(4-chlorophenyl)methylidene]-5-naphthalen-2-yl-2-oxopyrrol-1-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 155807558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).