[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone

C21H22N2O4S — CID 90587522

IUPAC[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCCC3CS(=O)(=O)c3ccccc3)[nH]c2c1
InChIInChI=1S/C21H22N2O4S/c1-27-17-10-9-15-12-20(22-19(15)13-17)21(24)23-11-5-6-16(23)14-28(25,26)18-7-3-2-4-8-18/h2-4,7-10,12-13,16,22H,5-6,11,14H2,1H3
InChIKeyVBLSVEUPDNORKS-UHFFFAOYSA-N
MW398.48 g/mol
LogP3.26
Rot. Bonds5

About [2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone

[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone (PubChem CID 90587522) has the molecular formula C21H22N2O4S and a molecular weight of 398.48 g/mol. Its IUPAC name is [2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone.

Molecular Properties

Compound Name[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
PubChem CID90587522
Molecular FormulaC21H22N2O4S
Molecular Weight398.48 g/mol
Exact Mass398.13
IUPAC Name[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone
SMILESCOc1ccc2cc(C(=O)N3CCCC3CS(=O)(=O)c3ccccc3)[nH]c2c1
InChIInChI=1S/C21H22N2O4S/c1-27-17-10-9-15-12-20(22-19(15)13-17)21(24)23-11-5-6-16(23)14-28(25,26)18-7-3-2-4-8-18/h2-4,7-10,12-13,16,22H,5-6,11,14H2,1H3
InChIKeyVBLSVEUPDNORKS-UHFFFAOYSA-N
XLogP3.26
TPSA79.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.48
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone 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

1-[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 90585600
(6-methoxy-1H-indol-2-yl)-[2-[2-(4-methyl-1,2,4-triazol-3-yl)ethyl]pyrrolidin-1-yl]methanone
CID 155882027
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-butoxyphenyl)methanone
CID 90585646
1-(6-methoxy-1H-indole-2-carbonyl)-N-methylpiperidine-2-carboxamide
CID 51078250
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(2-chloro-4-fluorophenyl)methanone
CID 90585615
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(2,5-dimethylfuran-3-yl)methanone
CID 90585567
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(2,5-dimethylphenyl)methanone
CID 90585577
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(4-phenylphenyl)methanone
CID 90585651
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-pyridin-4-ylmethanone
CID 71805873
(6-methoxy-1H-indol-2-yl)-[(2S)-2-pyridin-3-ylpiperidin-1-yl]methanone
CID 7070196
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(3-bromophenyl)methanone
CID 90585652
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-[3-(dimethylamino)phenyl]methanone
CID 90585599

Frequently Asked Questions

What is the IUPAC name of [2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
The IUPAC name of [2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone (CID 90587522) is [2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone.
What is the SMILES notation for [2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
The canonical SMILES for [2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone is COc1ccc2cc(C(=O)N3CCCC3CS(=O)(=O)c3ccccc3)[nH]c2c1.
What is the InChIKey of [2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
The InChIKey is VBLSVEUPDNORKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O4S/c1-27-17-10-9-15-12-20(22-19(15)13-17)21(24)23-11-5-6-16(23)14-28(25,26)18-7-3-2-4-8-18/h2-4,7-10,12-13,16,22H,5-6,11,14H2,1H3.
What are the key properties of [2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone?
[2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone has a molecular weight of 398.48 g/mol, XLogP of 3.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(benzenesulfonylmethyl)pyrrolidin-1-yl]-(6-methoxy-1H-indol-2-yl)methanone is sourced from PubChem (CID 90587522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).