4-[3-(4-chloro-3-methylbenzoyl)-5-(4-chlorophenyl)-2-methylpyrrol-1-yl]benzenesulfonamide

C25H20Cl2N2O3S — CID 24895834

IUPAC4-[3-(4-chloro-3-methylbenzoyl)-5-(4-chlorophenyl)-2-methylpyrrol-1-yl]benzenesulfonamide
SMILESCc1cc(C(=O)c2cc(-c3ccc(Cl)cc3)n(-c3ccc(S(N)(=O)=O)cc3)c2C)ccc1Cl
InChIInChI=1S/C25H20Cl2N2O3S/c1-15-13-18(5-12-23(15)27)25(30)22-14-24(17-3-6-19(26)7-4-17)29(16(22)2)20-8-10-21(11-9-20)33(28,31)32/h3-14H,1-2H3,(H2,28,31,32)
InChIKeyMACADHNVLDEWFB-UHFFFAOYSA-N
MW499.42 g/mol
LogP5.95
Rot. Bonds5

About 4-[3-(4-chloro-3-methylbenzoyl)-5-(4-chlorophenyl)-2-methylpyrrol-1-yl]benzenesulfonamide

4-[3-(4-chloro-3-methylbenzoyl)-5-(4-chlorophenyl)-2-methylpyrrol-1-yl]benzenesulfonamide (PubChem CID 24895834) has the molecular formula C25H20Cl2N2O3S and a molecular weight of 499.42 g/mol. Its IUPAC name is 4-[3-(4-chloro-3-methylbenzoyl)-5-(4-chlorophenyl)-2-methylpyrrol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[3-(4-chloro-3-methylbenzoyl)-5-(4-chlorophenyl)-2-methylpyrrol-1-yl]benzenesulfonamide
PubChem CID24895834
Molecular FormulaC25H20Cl2N2O3S
Molecular Weight499.42 g/mol
Exact Mass498.06
IUPAC Name4-[3-(4-chloro-3-methylbenzoyl)-5-(4-chlorophenyl)-2-methylpyrrol-1-yl]benzenesulfonamide
SMILESCc1cc(C(=O)c2cc(-c3ccc(Cl)cc3)n(-c3ccc(S(N)(=O)=O)cc3)c2C)ccc1Cl
InChIInChI=1S/C25H20Cl2N2O3S/c1-15-13-18(5-12-23(15)27)25(30)22-14-24(17-3-6-19(26)7-4-17)29(16(22)2)20-8-10-21(11-9-20)33(28,31)32/h3-14H,1-2H3,(H2,28,31,32)
InChIKeyMACADHNVLDEWFB-UHFFFAOYSA-N
XLogP5.95
TPSA82.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.42
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'pyrrole_B(29)', 'substructure': 'N/A'}

Analyze 4-[3-(4-chloro-3-methylbenzoyl)-5-(4-chlorophenyl)-2-methylpyrrol-1-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

A-867744
CID 23642319
3-[5-(4-Chlorophenyl)-2-methyl-3-propanoylpyrrol-1-yl]benzenesulfonamide
CID 162645668
4-[2-(4-Chlorophenyl)-4-propanoylpyrrol-1-yl]benzenesulfonamide
CID 162647918
4-[2-Methyl-5-(4-methylphenyl)-3-propanoylpyrrol-1-yl]benzenesulfonamide
CID 162655208
5-(4-Chlorophenyl)-2-methyl-3-(pyrrolidine-1-carbonyl)-1Hpyrrol-1-yl)benzenesulfonamide
CID 24894344
5-(4-Chlorophenyl)-N-(2hydroxyethyl)-2-methyl-N-propyl-1-(4-sulfamoylphenyl)-1H-pyrrole-3-carboxamide
CID 24894347
4-(5-(4-Chlorophenyl)-3-(cyclopropanecarbonyl)-2-methyl-1H-pyrrol-1-yl)benzenesulfonamide
CID 24895835
4-(3-Acetyl-5-(4-chlorophenyl)-2-methyl-1H-pyrrol-1-yl)benzenesulfonamide
CID 44138574
4-[5-(4-Chlorophenyl)-2-methyl-3-(3-methylbutanoyl)pyrrol-1-yl]benzenesulfonamide
CID 44140520
4-[5-(2,4-Dichlorophenyl)-2-methyl-3-propanoylpyrrol-1-yl]benzenesulfonamide
CID 162644854
4-[5-(4-chlorophenyl)-2-methyl-3-propanoylpyrrol-1-yl]-N-methylbenzenesulfonamide
CID 162648081
4-[5-(4-Fluorophenyl)-2-methyl-3-propanoylpyrrol-1-yl]benzenesulfonamide
CID 162654765

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chloro-3-methylbenzoyl)-5-(4-chlorophenyl)-2-methylpyrrol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[3-(4-chloro-3-methylbenzoyl)-5-(4-chlorophenyl)-2-methylpyrrol-1-yl]benzenesulfonamide (CID 24895834) is 4-[3-(4-chloro-3-methylbenzoyl)-5-(4-chlorophenyl)-2-methylpyrrol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[3-(4-chloro-3-methylbenzoyl)-5-(4-chlorophenyl)-2-methylpyrrol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[3-(4-chloro-3-methylbenzoyl)-5-(4-chlorophenyl)-2-methylpyrrol-1-yl]benzenesulfonamide is Cc1cc(C(=O)c2cc(-c3ccc(Cl)cc3)n(-c3ccc(S(N)(=O)=O)cc3)c2C)ccc1Cl.
What is the InChIKey of 4-[3-(4-chloro-3-methylbenzoyl)-5-(4-chlorophenyl)-2-methylpyrrol-1-yl]benzenesulfonamide?
The InChIKey is MACADHNVLDEWFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20Cl2N2O3S/c1-15-13-18(5-12-23(15)27)25(30)22-14-24(17-3-6-19(26)7-4-17)29(16(22)2)20-8-10-21(11-9-20)33(28,31)32/h3-14H,1-2H3,(H2,28,31,32).
What are the key properties of 4-[3-(4-chloro-3-methylbenzoyl)-5-(4-chlorophenyl)-2-methylpyrrol-1-yl]benzenesulfonamide?
4-[3-(4-chloro-3-methylbenzoyl)-5-(4-chlorophenyl)-2-methylpyrrol-1-yl]benzenesulfonamide has a molecular weight of 499.42 g/mol, XLogP of 5.95, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chloro-3-methylbenzoyl)-5-(4-chlorophenyl)-2-methylpyrrol-1-yl]benzenesulfonamide is sourced from PubChem (CID 24895834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).