tert-butyl 2-[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate

C28H28N2O4S — CID 25190792

IUPACtert-butyl 2-[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc2ccccc21
InChIInChI=1S/C28H28N2O4S/c1-28(2,3)34-27(31)30-25-12-8-7-9-20(25)18-26(30)21-14-13-19-16-23(17-22(19)15-21)29-35(32,33)24-10-5-4-6-11-24/h4-15,18,23,29H,16-17H2,1-3H3
InChIKeyODJWHQQYADUVIQ-UHFFFAOYSA-N
MW488.61 g/mol
LogP5.54
Rot. Bonds4

About tert-butyl 2-[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate

tert-butyl 2-[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate (PubChem CID 25190792) has the molecular formula C28H28N2O4S and a molecular weight of 488.61 g/mol. Its IUPAC name is tert-butyl 2-[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 2-[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate
PubChem CID25190792
Molecular FormulaC28H28N2O4S
Molecular Weight488.61 g/mol
Exact Mass488.18
IUPAC Nametert-butyl 2-[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate
SMILESCC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc2ccccc21
InChIInChI=1S/C28H28N2O4S/c1-28(2,3)34-27(31)30-25-12-8-7-9-20(25)18-26(30)21-14-13-19-16-23(17-22(19)15-21)29-35(32,33)24-10-5-4-6-11-24/h4-15,18,23,29H,16-17H2,1-3H3
InChIKeyODJWHQQYADUVIQ-UHFFFAOYSA-N
XLogP5.54
TPSA77.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500488.61
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze tert-butyl 2-[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate with MolForge

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Related Compounds

Indole derivative, 5o
CID 17753624
tert-butyl 2-[3-(2-benzenesulfonamidoethyl)phenyl]-1H-indole-1-carboxylate
CID 25190793
tert-butyl 2-[4-(2-benzenesulfonamidoethyl)phenyl]-1H-indole-1-carboxylate
CID 25190794
tert-butyl 2-[4-(benzenesulfonamidomethyl)phenyl]-1H-indole-1-carboxylate
CID 25190795
tert-butyl 2-[4-(3-benzenesulfonamidopropyl)phenyl]-1H-indole-1-carboxylate
CID 25190796
tert-butyl 2-{4-[2-(thiophene-2-sulfonamido)ethyl]phenyl}-1H-indole-1-carboxylate
CID 25190798
tert-butyl 2-(2-benzenesulfonamido-2,3-dihydro-1H-inden-5-yl)-6-methyl-1H-indole-1-carboxylate
CID 25190825
tert-butyl 2-[(2R)-2-benzenesulfonamido-2,3-dihydro-1H-inden-5-yl]-1H-indole-1-carboxylate
CID 25190827
tert-butyl 2-[(2S)-2-benzenesulfonamido-2,3-dihydro-1H-inden-5-yl]-1H-indole-1-carboxylate
CID 25190828
N-[5-(1-cyclopentanecarbonyl-1H-indol-2-yl)-2,3-dihydro-1H-inden-2-yl]benzenesulfonamide
CID 25190837
Indole derivative, 5b
CID 25190847
Indole derivative, 5c
CID 25190848

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate?
The IUPAC name of tert-butyl 2-[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate (CID 25190792) is tert-butyl 2-[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate.
What is the SMILES notation for tert-butyl 2-[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate?
The canonical SMILES for tert-butyl 2-[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate is CC(C)(C)OC(=O)n1c(-c2ccc3c(c2)CC(NS(=O)(=O)c2ccccc2)C3)cc2ccccc21.
What is the InChIKey of tert-butyl 2-[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate?
The InChIKey is ODJWHQQYADUVIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H28N2O4S/c1-28(2,3)34-27(31)30-25-12-8-7-9-20(25)18-26(30)21-14-13-19-16-23(17-22(19)15-21)29-35(32,33)24-10-5-4-6-11-24/h4-15,18,23,29H,16-17H2,1-3H3.
What are the key properties of tert-butyl 2-[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate?
tert-butyl 2-[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate has a molecular weight of 488.61 g/mol, XLogP of 5.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[2-(benzenesulfonamido)-2,3-dihydro-1H-inden-5-yl]indole-1-carboxylate is sourced from PubChem (CID 25190792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).