[1-(benzenesulfonyl)piperidin-3-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone

C21H24N2O3S — CID 112835728

IUPAC[1-(benzenesulfonyl)piperidin-3-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1cccc2c1N(C(=O)C1CCCN(S(=O)(=O)c3ccccc3)C1)CC2
InChIInChI=1S/C21H24N2O3S/c1-16-7-5-8-17-12-14-23(20(16)17)21(24)18-9-6-13-22(15-18)27(25,26)19-10-3-2-4-11-19/h2-5,7-8,10-11,18H,6,9,12-15H2,1H3
InChIKeyTVSWDPPQZYYITF-UHFFFAOYSA-N
MW384.50 g/mol
LogP2.99
Rot. Bonds3

About [1-(benzenesulfonyl)piperidin-3-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone

[1-(benzenesulfonyl)piperidin-3-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 112835728) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-3-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-3-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID112835728
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name[1-(benzenesulfonyl)piperidin-3-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCc1cccc2c1N(C(=O)C1CCCN(S(=O)(=O)c3ccccc3)C1)CC2
InChIInChI=1S/C21H24N2O3S/c1-16-7-5-8-17-12-14-23(20(16)17)21(24)18-9-6-13-22(15-18)27(25,26)19-10-3-2-4-11-19/h2-5,7-8,10-11,18H,6,9,12-15H2,1H3
InChIKeyTVSWDPPQZYYITF-UHFFFAOYSA-N
XLogP2.99
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.50
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze [1-(benzenesulfonyl)piperidin-3-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone with MolForge

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Related Compounds

(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-[1-(4-nitrophenyl)sulfonylpiperidin-3-yl]methanone
CID 166194281
[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-(2,3-dihydroindol-1-yl)methanone
CID 39894254
(8-methyl-3,4-dihydro-2H-quinolin-1-yl)-(1-thiophen-2-ylsulfonylpiperidin-3-yl)methanone
CID 55480235
2,3-dihydroindol-1-yl-[(3S)-1-(3-fluorophenyl)sulfonylpiperidin-3-yl]methanone
CID 1445023
[1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)methanone
CID 112811889
[1-(benzenesulfonyl)piperidin-3-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
CID 133159675
[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-(3,4-dihydro-2H-quinolin-1-yl)methanone
CID 30329086
(3R)-1-(3-methylphenyl)sulfonylpiperidine-3-carboxylic acid
CID 42257645
1-(benzenesulfonyl)-N-propan-2-ylpiperidine-3-carboxamide
CID 51179844
[1-(benzenesulfonyl)piperidin-3-yl]-[3-(methylaminomethyl)pyrrolidin-1-yl]methanone
CID 119540587
1-[1-(benzenesulfonyl)piperidine-3-carbonyl]piperidine-4-carboxamide
CID 5033864
[1-(3-methylphenyl)sulfonylpiperidin-3-yl]-phenylmethanone
CID 110394558

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-3-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-(benzenesulfonyl)piperidin-3-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone (CID 112835728) is [1-(benzenesulfonyl)piperidin-3-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-3-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-3-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone is Cc1cccc2c1N(C(=O)C1CCCN(S(=O)(=O)c3ccccc3)C1)CC2.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-3-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is TVSWDPPQZYYITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-16-7-5-8-17-12-14-23(20(16)17)21(24)18-9-6-13-22(15-18)27(25,26)19-10-3-2-4-11-19/h2-5,7-8,10-11,18H,6,9,12-15H2,1H3.
What are the key properties of [1-(benzenesulfonyl)piperidin-3-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone?
[1-(benzenesulfonyl)piperidin-3-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 384.50 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)piperidin-3-yl]-(7-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 112835728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).