1-(benzenesulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide

C22H27N3O3S — CID 46891056

IUPAC1-(benzenesulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide
SMILESCN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C22H27N3O3S/c1-23-14-12-17(13-15-23)24(2)22(26)20-16-25(21-11-7-6-10-19(20)21)29(27,28)18-8-4-3-5-9-18/h3-11,17,20H,12-16H2,1-2H3
InChIKeyWKWNFUSWUWSSKE-UHFFFAOYSA-N
MW413.54 g/mol
LogP2.53
Rot. Bonds4

About 1-(benzenesulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide

1-(benzenesulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide (PubChem CID 46891056) has the molecular formula C22H27N3O3S and a molecular weight of 413.54 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide.

Molecular Properties

Compound Name1-(benzenesulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide
PubChem CID46891056
Molecular FormulaC22H27N3O3S
Molecular Weight413.54 g/mol
Exact Mass413.18
IUPAC Name1-(benzenesulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide
SMILESCN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3ccccc3)c3ccccc32)CC1
InChIInChI=1S/C22H27N3O3S/c1-23-14-12-17(13-15-23)24(2)22(26)20-16-25(21-11-7-6-10-19(20)21)29(27,28)18-8-4-3-5-9-18/h3-11,17,20H,12-16H2,1-2H3
InChIKeyWKWNFUSWUWSSKE-UHFFFAOYSA-N
XLogP2.53
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.54
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide?
The IUPAC name of 1-(benzenesulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide (CID 46891056) is 1-(benzenesulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide.
What is the SMILES notation for 1-(benzenesulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide?
The canonical SMILES for 1-(benzenesulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide is CN1CCC(N(C)C(=O)C2CN(S(=O)(=O)c3ccccc3)c3ccccc32)CC1.
What is the InChIKey of 1-(benzenesulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide?
The InChIKey is WKWNFUSWUWSSKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O3S/c1-23-14-12-17(13-15-23)24(2)22(26)20-16-25(21-11-7-6-10-19(20)21)29(27,28)18-8-4-3-5-9-18/h3-11,17,20H,12-16H2,1-2H3.
What are the key properties of 1-(benzenesulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide?
1-(benzenesulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide has a molecular weight of 413.54 g/mol, XLogP of 2.53, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-N-methyl-N-(1-methylpiperidin-4-yl)-2,3-dihydroindole-3-carboxamide is sourced from PubChem (CID 46891056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).