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

C21H24N2O3S — CID 3440155

IUPAC[1-(benzenesulfonyl)piperidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H24N2O3S/c1-16-15-17-9-5-6-12-19(17)23(16)21(24)20-13-7-8-14-22(20)27(25,26)18-10-3-2-4-11-18/h2-6,9-12,16,20H,7-8,13-15H2,1H3
InChIKeyZHCKRQZGJZNGMK-UHFFFAOYSA-N
MW384.50 g/mol
LogP3.21
Rot. Bonds3

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

[1-(benzenesulfonyl)piperidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (PubChem CID 3440155) has the molecular formula C21H24N2O3S and a molecular weight of 384.50 g/mol. Its IUPAC name is [1-(benzenesulfonyl)piperidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.

Molecular Properties

Compound Name[1-(benzenesulfonyl)piperidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
PubChem CID3440155
Molecular FormulaC21H24N2O3S
Molecular Weight384.50 g/mol
Exact Mass384.15
IUPAC Name[1-(benzenesulfonyl)piperidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone
SMILESCC1Cc2ccccc2N1C(=O)C1CCCCN1S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H24N2O3S/c1-16-15-17-9-5-6-12-19(17)23(16)21(24)20-13-7-8-14-22(20)27(25,26)18-10-3-2-4-11-18/h2-6,9-12,16,20H,7-8,13-15H2,1H3
InChIKeyZHCKRQZGJZNGMK-UHFFFAOYSA-N
XLogP3.21
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 ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)piperidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The IUPAC name of [1-(benzenesulfonyl)piperidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone (CID 3440155) is [1-(benzenesulfonyl)piperidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone.
What is the SMILES notation for [1-(benzenesulfonyl)piperidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The canonical SMILES for [1-(benzenesulfonyl)piperidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is CC1Cc2ccccc2N1C(=O)C1CCCCN1S(=O)(=O)c1ccccc1.
What is the InChIKey of [1-(benzenesulfonyl)piperidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
The InChIKey is ZHCKRQZGJZNGMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O3S/c1-16-15-17-9-5-6-12-19(17)23(16)21(24)20-13-7-8-14-22(20)27(25,26)18-10-3-2-4-11-18/h2-6,9-12,16,20H,7-8,13-15H2,1H3.
What are the key properties of [1-(benzenesulfonyl)piperidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone?
[1-(benzenesulfonyl)piperidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone has a molecular weight of 384.50 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)piperidin-2-yl]-(2-methyl-2,3-dihydroindol-1-yl)methanone is sourced from PubChem (CID 3440155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).