N-(4-chlorophenyl)-4-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzenesulfonamide

C25H23ClN2O3S — CID 4305840

IUPACN-(4-chlorophenyl)-4-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzenesulfonamide
SMILESCN1C(=CC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)C(C)(C)c2ccccc21
InChIInChI=1S/C25H23ClN2O3S/c1-25(2)21-6-4-5-7-22(21)28(3)24(25)16-23(29)17-8-14-20(15-9-17)32(30,31)27-19-12-10-18(26)11-13-19/h4-16,27H,1-3H3
InChIKeyUVTGJXCCFZYKHZ-UHFFFAOYSA-N
MW466.99 g/mol
LogP5.64
Rot. Bonds5

About N-(4-chlorophenyl)-4-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzenesulfonamide

N-(4-chlorophenyl)-4-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzenesulfonamide (PubChem CID 4305840) has the molecular formula C25H23ClN2O3S and a molecular weight of 466.99 g/mol. Its IUPAC name is N-(4-chlorophenyl)-4-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-4-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzenesulfonamide
PubChem CID4305840
Molecular FormulaC25H23ClN2O3S
Molecular Weight466.99 g/mol
Exact Mass466.11
IUPAC NameN-(4-chlorophenyl)-4-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzenesulfonamide
SMILESCN1C(=CC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)C(C)(C)c2ccccc21
InChIInChI=1S/C25H23ClN2O3S/c1-25(2)21-6-4-5-7-22(21)28(3)24(25)16-23(29)17-8-14-20(15-9-17)32(30,31)27-19-12-10-18(26)11-13-19/h4-16,27H,1-3H3
InChIKeyUVTGJXCCFZYKHZ-UHFFFAOYSA-N
XLogP5.64
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.99
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-(4-chlorophenyl)-4-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]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

[2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 25041319
2-chloro-N-(4-methoxyphenyl)-5-[(2Z)-2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzenesulfonamide
CID 2318749
(2E)-1-(2,4-dichlorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 2337442
(2Z)-1-(2,3,4,5,6-pentafluorophenyl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 2402485
(5R)-5-(4-chlorophenyl)-5-methyl-3-[(3Z)-2-oxo-3-(1,3,3-trimethylindol-2-ylidene)propyl]imidazolidine-2,4-dione
CID 51872992
4-[(4-chlorophenyl)sulfamoyl]benzoate
CID 7062536
4-[(4-chlorophenyl)sulfamoyl]benzamide
CID 27187051
1-(furan-2-yl)-2-(1,3,3-trimethylindol-2-ylidene)ethanone
CID 622375
4-[(4-chlorophenyl)sulfamoyl]-N,N-dimethylbenzamide
CID 7971137
4-chloro-N-phenylbenzenesulfonamide;ethane
CID 91229233
4-[(4-chlorophenyl)sulfonylamino]-N-(4-methylphenyl)benzenesulfonamide
CID 3719852
N-(4-chlorophenyl)-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 7720348

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-4-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzenesulfonamide?
The IUPAC name of N-(4-chlorophenyl)-4-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzenesulfonamide (CID 4305840) is N-(4-chlorophenyl)-4-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzenesulfonamide.
What is the SMILES notation for N-(4-chlorophenyl)-4-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzenesulfonamide?
The canonical SMILES for N-(4-chlorophenyl)-4-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzenesulfonamide is CN1C(=CC(=O)c2ccc(S(=O)(=O)Nc3ccc(Cl)cc3)cc2)C(C)(C)c2ccccc21.
What is the InChIKey of N-(4-chlorophenyl)-4-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzenesulfonamide?
The InChIKey is UVTGJXCCFZYKHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23ClN2O3S/c1-25(2)21-6-4-5-7-22(21)28(3)24(25)16-23(29)17-8-14-20(15-9-17)32(30,31)27-19-12-10-18(26)11-13-19/h4-16,27H,1-3H3.
What are the key properties of N-(4-chlorophenyl)-4-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzenesulfonamide?
N-(4-chlorophenyl)-4-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzenesulfonamide has a molecular weight of 466.99 g/mol, XLogP of 5.64, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-4-[2-(1,3,3-trimethylindol-2-ylidene)acetyl]benzenesulfonamide is sourced from PubChem (CID 4305840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).