N-(4-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide

C25H25N3O3S — CID 121251964

IUPACN-(4-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
SMILESCc1cc(C)c(Cn2c(C(=O)NS(=O)(=O)c3ccc(N)cc3)cc3ccccc32)c(C)c1
InChIInChI=1S/C25H25N3O3S/c1-16-12-17(2)22(18(3)13-16)15-28-23-7-5-4-6-19(23)14-24(28)25(29)27-32(30,31)21-10-8-20(26)9-11-21/h4-14H,15,26H2,1-3H3,(H,27,29)
InChIKeyZYBYLKJIJVQDEW-UHFFFAOYSA-N
MW447.56 g/mol
LogP4.32
Rot. Bonds5

About N-(4-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide

N-(4-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide (PubChem CID 121251964) has the molecular formula C25H25N3O3S and a molecular weight of 447.56 g/mol. Its IUPAC name is N-(4-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide.

Molecular Properties

Compound NameN-(4-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
PubChem CID121251964
Molecular FormulaC25H25N3O3S
Molecular Weight447.56 g/mol
Exact Mass447.16
IUPAC NameN-(4-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide
SMILESCc1cc(C)c(Cn2c(C(=O)NS(=O)(=O)c3ccc(N)cc3)cc3ccccc32)c(C)c1
InChIInChI=1S/C25H25N3O3S/c1-16-12-17(2)22(18(3)13-16)15-28-23-7-5-4-6-19(23)14-24(28)25(29)27-32(30,31)21-10-8-20(26)9-11-21/h4-14H,15,26H2,1-3H3,(H,27,29)
InChIKeyZYBYLKJIJVQDEW-UHFFFAOYSA-N
XLogP4.32
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.56
LogP ≤ 54.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-(4-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide 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 N-(4-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide?
The IUPAC name of N-(4-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide (CID 121251964) is N-(4-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide.
What is the SMILES notation for N-(4-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide?
The canonical SMILES for N-(4-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide is Cc1cc(C)c(Cn2c(C(=O)NS(=O)(=O)c3ccc(N)cc3)cc3ccccc32)c(C)c1.
What is the InChIKey of N-(4-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide?
The InChIKey is ZYBYLKJIJVQDEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N3O3S/c1-16-12-17(2)22(18(3)13-16)15-28-23-7-5-4-6-19(23)14-24(28)25(29)27-32(30,31)21-10-8-20(26)9-11-21/h4-14H,15,26H2,1-3H3,(H,27,29).
What are the key properties of N-(4-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide?
N-(4-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide has a molecular weight of 447.56 g/mol, XLogP of 4.32, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-aminophenyl)sulfonyl-1-[(2,4,6-trimethylphenyl)methyl]indole-2-carboxamide is sourced from PubChem (CID 121251964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).