1-(benzenesulfonyl)-3-phenyl-3-pyrrolidin-1-ylindol-2-one

C24H22N2O3S — CID 154271226

IUPAC1-(benzenesulfonyl)-3-phenyl-3-pyrrolidin-1-ylindol-2-one
SMILESO=C1N(S(=O)(=O)c2ccccc2)c2ccccc2C1(c1ccccc1)N1CCCC1
InChIInChI=1S/C24H22N2O3S/c27-23-24(25-17-9-10-18-25,19-11-3-1-4-12-19)21-15-7-8-16-22(21)26(23)30(28,29)20-13-5-2-6-14-20/h1-8,11-16H,9-10,17-18H2
InChIKeyNAXBGJQXFPJSMI-UHFFFAOYSA-N
MW418.52 g/mol
LogP3.76
Rot. Bonds4

About 1-(benzenesulfonyl)-3-phenyl-3-pyrrolidin-1-ylindol-2-one

1-(benzenesulfonyl)-3-phenyl-3-pyrrolidin-1-ylindol-2-one (PubChem CID 154271226) has the molecular formula C24H22N2O3S and a molecular weight of 418.52 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-phenyl-3-pyrrolidin-1-ylindol-2-one.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-phenyl-3-pyrrolidin-1-ylindol-2-one
PubChem CID154271226
Molecular FormulaC24H22N2O3S
Molecular Weight418.52 g/mol
Exact Mass418.14
IUPAC Name1-(benzenesulfonyl)-3-phenyl-3-pyrrolidin-1-ylindol-2-one
SMILESO=C1N(S(=O)(=O)c2ccccc2)c2ccccc2C1(c1ccccc1)N1CCCC1
InChIInChI=1S/C24H22N2O3S/c27-23-24(25-17-9-10-18-25,19-11-3-1-4-12-19)21-15-7-8-16-22(21)26(23)30(28,29)20-13-5-2-6-14-20/h1-8,11-16H,9-10,17-18H2
InChIKeyNAXBGJQXFPJSMI-UHFFFAOYSA-N
XLogP3.76
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 53.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-methyl-3-phenyl-3-pyrrolidin-1-ylindol-2-one
CID 102519174
1'-(benzenesulfonyl)spiro[1,3-dioxane-2,3'-indole]-2'-one
CID 67532384
(3R)-1'-(benzenesulfonyl)-1-methylspiro[indole-3,3'-piperidine]-2-one
CID 95716062
3-[2-(benzenesulfonyl)-2,2-difluoroethyl]-3-methyl-1-(4-methylphenyl)sulfonylindol-2-one
CID 102140963
1,3-bis(benzenesulfonyl)-1,3-diazocane
CID 13382390
5-chloro-1-(4-chlorophenyl)sulfonyl-3-(2-methoxyphenyl)-3-(4-pyridin-4-ylpiperazin-1-yl)indol-2-one
CID 68907053
5-bromo-3-(diiodomethyl)-1-(4-methylphenyl)sulfonyl-3-phenylindol-2-one
CID 102202490
4-ethyl-2-phenyl-2-piperidin-1-yl-1,4-benzothiazin-3-one
CID 18675271
1-(benzenesulfonyl)-N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]piperidine-4-carboxamide
CID 41208727
1,3-bis(benzenesulfonyl)imidazolidine
CID 1354022
3-benzyl-3-phenyl-1-piperidin-1-ylindol-2-one
CID 15284413
N-[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]-4-pyrrolidin-1-ylsulfonylbenzamide
CID 41203446

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-phenyl-3-pyrrolidin-1-ylindol-2-one?
The IUPAC name of 1-(benzenesulfonyl)-3-phenyl-3-pyrrolidin-1-ylindol-2-one (CID 154271226) is 1-(benzenesulfonyl)-3-phenyl-3-pyrrolidin-1-ylindol-2-one.
What is the SMILES notation for 1-(benzenesulfonyl)-3-phenyl-3-pyrrolidin-1-ylindol-2-one?
The canonical SMILES for 1-(benzenesulfonyl)-3-phenyl-3-pyrrolidin-1-ylindol-2-one is O=C1N(S(=O)(=O)c2ccccc2)c2ccccc2C1(c1ccccc1)N1CCCC1.
What is the InChIKey of 1-(benzenesulfonyl)-3-phenyl-3-pyrrolidin-1-ylindol-2-one?
The InChIKey is NAXBGJQXFPJSMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2O3S/c27-23-24(25-17-9-10-18-25,19-11-3-1-4-12-19)21-15-7-8-16-22(21)26(23)30(28,29)20-13-5-2-6-14-20/h1-8,11-16H,9-10,17-18H2.
What are the key properties of 1-(benzenesulfonyl)-3-phenyl-3-pyrrolidin-1-ylindol-2-one?
1-(benzenesulfonyl)-3-phenyl-3-pyrrolidin-1-ylindol-2-one has a molecular weight of 418.52 g/mol, XLogP of 3.76, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-phenyl-3-pyrrolidin-1-ylindol-2-one is sourced from PubChem (CID 154271226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).