N-[5-(1-hexanoylindol-2-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide

C29H30N2O3S — CID 25190838

IUPACN-[5-(1-hexanoylindol-2-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
SMILESCCCCCC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc2ccccc21
InChIInChI=1S/C29H30N2O3S/c1-2-3-5-14-29(32)31-27-13-9-8-10-22(27)20-28(31)23-16-15-21-18-25(19-24(21)17-23)30-35(33,34)26-11-6-4-7-12-26/h4,6-13,15-17,20,25,30H,2-3,5,14,18-19H2,1H3
InChIKeyQFAYFGIEPQGOAP-UHFFFAOYSA-N
MW486.64 g/mol
LogP5.97
Rot. Bonds8

About N-[5-(1-hexanoylindol-2-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide

N-[5-(1-hexanoylindol-2-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide (PubChem CID 25190838) has the molecular formula C29H30N2O3S and a molecular weight of 486.64 g/mol. Its IUPAC name is N-[5-(1-hexanoylindol-2-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-(1-hexanoylindol-2-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
PubChem CID25190838
Molecular FormulaC29H30N2O3S
Molecular Weight486.64 g/mol
Exact Mass486.20
IUPAC NameN-[5-(1-hexanoylindol-2-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
SMILESCCCCCC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc2ccccc21
InChIInChI=1S/C29H30N2O3S/c1-2-3-5-14-29(32)31-27-13-9-8-10-22(27)20-28(31)23-16-15-21-18-25(19-24(21)17-23)30-35(33,34)26-11-6-4-7-12-26/h4,6-13,15-17,20,25,30H,2-3,5,14,18-19H2,1H3
InChIKeyQFAYFGIEPQGOAP-UHFFFAOYSA-N
XLogP5.97
TPSA68.17 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.64
LogP ≤ 55.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[5-(1-hexanoylindol-2-yl)-2,3-dihydro-1H-inden-2-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

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-hexanoylindol-2-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide?
The IUPAC name of N-[5-(1-hexanoylindol-2-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide (CID 25190838) is N-[5-(1-hexanoylindol-2-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-(1-hexanoylindol-2-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide?
The canonical SMILES for N-[5-(1-hexanoylindol-2-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide is CCCCCC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc2ccccc21.
What is the InChIKey of N-[5-(1-hexanoylindol-2-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide?
The InChIKey is QFAYFGIEPQGOAP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N2O3S/c1-2-3-5-14-29(32)31-27-13-9-8-10-22(27)20-28(31)23-16-15-21-18-25(19-24(21)17-23)30-35(33,34)26-11-6-4-7-12-26/h4,6-13,15-17,20,25,30H,2-3,5,14,18-19H2,1H3.
What are the key properties of N-[5-(1-hexanoylindol-2-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide?
N-[5-(1-hexanoylindol-2-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide has a molecular weight of 486.64 g/mol, XLogP of 5.97, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(1-hexanoylindol-2-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide is sourced from PubChem (CID 25190838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).