3-(1-benzylpyrrolidin-3-yl)-1-(4-methylphenyl)sulfonylindole

C26H26N2O2S — CID 10202995

IUPAC3-(1-benzylpyrrolidin-3-yl)-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2cc(C3CCN(Cc4ccccc4)C3)c3ccccc32)cc1
InChIInChI=1S/C26H26N2O2S/c1-20-11-13-23(14-12-20)31(29,30)28-19-25(24-9-5-6-10-26(24)28)22-15-16-27(18-22)17-21-7-3-2-4-8-21/h2-14,19,22H,15-18H2,1H3
InChIKeyKADCFEDAPDSNRT-UHFFFAOYSA-N
MW430.57 g/mol
LogP5.18
Rot. Bonds5

About 3-(1-benzylpyrrolidin-3-yl)-1-(4-methylphenyl)sulfonylindole

3-(1-benzylpyrrolidin-3-yl)-1-(4-methylphenyl)sulfonylindole (PubChem CID 10202995) has the molecular formula C26H26N2O2S and a molecular weight of 430.57 g/mol. Its IUPAC name is 3-(1-benzylpyrrolidin-3-yl)-1-(4-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name3-(1-benzylpyrrolidin-3-yl)-1-(4-methylphenyl)sulfonylindole
PubChem CID10202995
Molecular FormulaC26H26N2O2S
Molecular Weight430.57 g/mol
Exact Mass430.17
IUPAC Name3-(1-benzylpyrrolidin-3-yl)-1-(4-methylphenyl)sulfonylindole
SMILESCc1ccc(S(=O)(=O)n2cc(C3CCN(Cc4ccccc4)C3)c3ccccc32)cc1
InChIInChI=1S/C26H26N2O2S/c1-20-11-13-23(14-12-20)31(29,30)28-19-25(24-9-5-6-10-26(24)28)22-15-16-27(18-22)17-21-7-3-2-4-8-21/h2-14,19,22H,15-18H2,1H3
InChIKeyKADCFEDAPDSNRT-UHFFFAOYSA-N
XLogP5.18
TPSA42.31 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.57
LogP ≤ 55.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 3-(1-benzylpyrrolidin-3-yl)-1-(4-methylphenyl)sulfonylindole 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 3-(1-benzylpyrrolidin-3-yl)-1-(4-methylphenyl)sulfonylindole?
The IUPAC name of 3-(1-benzylpyrrolidin-3-yl)-1-(4-methylphenyl)sulfonylindole (CID 10202995) is 3-(1-benzylpyrrolidin-3-yl)-1-(4-methylphenyl)sulfonylindole.
What is the SMILES notation for 3-(1-benzylpyrrolidin-3-yl)-1-(4-methylphenyl)sulfonylindole?
The canonical SMILES for 3-(1-benzylpyrrolidin-3-yl)-1-(4-methylphenyl)sulfonylindole is Cc1ccc(S(=O)(=O)n2cc(C3CCN(Cc4ccccc4)C3)c3ccccc32)cc1.
What is the InChIKey of 3-(1-benzylpyrrolidin-3-yl)-1-(4-methylphenyl)sulfonylindole?
The InChIKey is KADCFEDAPDSNRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N2O2S/c1-20-11-13-23(14-12-20)31(29,30)28-19-25(24-9-5-6-10-26(24)28)22-15-16-27(18-22)17-21-7-3-2-4-8-21/h2-14,19,22H,15-18H2,1H3.
What are the key properties of 3-(1-benzylpyrrolidin-3-yl)-1-(4-methylphenyl)sulfonylindole?
3-(1-benzylpyrrolidin-3-yl)-1-(4-methylphenyl)sulfonylindole has a molecular weight of 430.57 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzylpyrrolidin-3-yl)-1-(4-methylphenyl)sulfonylindole is sourced from PubChem (CID 10202995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).