1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride

C17H26ClN3O3S — CID 119979655

IUPAC1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)NCCC3CCCNC3)cc21.Cl
InChIInChI=1S/C17H25N3O3S.ClH/c1-13(21)20-10-7-15-4-5-16(11-17(15)20)24(22,23)19-9-6-14-3-2-8-18-12-14;/h4-5,11,14,18-19H,2-3,6-10,12H2,1H3;1H
InChIKeyOTKLPMUYZQDBPP-UHFFFAOYSA-N
MW387.93 g/mol
LogP1.69
Rot. Bonds5

About 1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride

1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride (PubChem CID 119979655) has the molecular formula C17H26ClN3O3S and a molecular weight of 387.93 g/mol. Its IUPAC name is 1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
PubChem CID119979655
Molecular FormulaC17H26ClN3O3S
Molecular Weight387.93 g/mol
Exact Mass387.14
IUPAC Name1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)NCCC3CCCNC3)cc21.Cl
InChIInChI=1S/C17H25N3O3S.ClH/c1-13(21)20-10-7-15-4-5-16(11-17(15)20)24(22,23)19-9-6-14-3-2-8-18-12-14;/h4-5,11,14,18-19H,2-3,6-10,12H2,1H3;1H
InChIKeyOTKLPMUYZQDBPP-UHFFFAOYSA-N
XLogP1.69
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.93
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119979250
1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-6-sulfonamide
CID 119964529
1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride
CID 119966651
N-(2-piperidin-3-ylethyl)-2,3-dihydro-1H-indene-5-sulfonamide;hydrochloride
CID 119979394
1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119967228
1-acetyl-N-piperidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119964163
1-acetyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119966867
1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119964117
1-acetyl-N-[2-(cycloheptylamino)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119987148
1-oxo-N-(2-piperidin-3-ylethyl)-3,4-dihydro-2H-isoquinoline-7-sulfonamide;hydrochloride
CID 119979597
4-methyl-N-(2-piperidin-3-ylethyl)benzenesulfonamide
CID 60895182
1-acetyl-N-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119972947

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The IUPAC name of 1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride (CID 119979655) is 1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride.
What is the SMILES notation for 1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The canonical SMILES for 1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride is CC(=O)N1CCc2ccc(S(=O)(=O)NCCC3CCCNC3)cc21.Cl.
What is the InChIKey of 1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The InChIKey is OTKLPMUYZQDBPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25N3O3S.ClH/c1-13(21)20-10-7-15-4-5-16(11-17(15)20)24(22,23)19-9-6-14-3-2-8-18-12-14;/h4-5,11,14,18-19H,2-3,6-10,12H2,1H3;1H.
What are the key properties of 1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride?
1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride has a molecular weight of 387.93 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride is sourced from PubChem (CID 119979655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).