1-acetyl-N-methyl-N-piperidin-4-yl-2,3-dihydroindole-6-sulfonamide

C16H23N3O3S — CID 119966047

IUPAC1-acetyl-N-methyl-N-piperidin-4-yl-2,3-dihydroindole-6-sulfonamide
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)N(C)C3CCNCC3)cc21
InChIInChI=1S/C16H23N3O3S/c1-12(20)19-10-7-13-3-4-15(11-16(13)19)23(21,22)18(2)14-5-8-17-9-6-14/h3-4,11,14,17H,5-10H2,1-2H3
InChIKeyROHJPEFIHWJFHO-UHFFFAOYSA-N
MW337.45 g/mol
LogP0.97
Rot. Bonds3

About 1-acetyl-N-methyl-N-piperidin-4-yl-2,3-dihydroindole-6-sulfonamide

1-acetyl-N-methyl-N-piperidin-4-yl-2,3-dihydroindole-6-sulfonamide (PubChem CID 119966047) has the molecular formula C16H23N3O3S and a molecular weight of 337.45 g/mol. Its IUPAC name is 1-acetyl-N-methyl-N-piperidin-4-yl-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-methyl-N-piperidin-4-yl-2,3-dihydroindole-6-sulfonamide
PubChem CID119966047
Molecular FormulaC16H23N3O3S
Molecular Weight337.45 g/mol
Exact Mass337.15
IUPAC Name1-acetyl-N-methyl-N-piperidin-4-yl-2,3-dihydroindole-6-sulfonamide
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)N(C)C3CCNCC3)cc21
InChIInChI=1S/C16H23N3O3S/c1-12(20)19-10-7-13-3-4-15(11-16(13)19)23(21,22)18(2)14-5-8-17-9-6-14/h3-4,11,14,17H,5-10H2,1-2H3
InChIKeyROHJPEFIHWJFHO-UHFFFAOYSA-N
XLogP0.97
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.45
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-piperidin-4-yl-N-propyl-2,3-dihydroindole-6-sulfonamide
CID 119994113
1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119967228
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
2-fluoro-5-[methyl(piperidin-4-yl)sulfamoyl]benzoic acid
CID 61403448
1-acetyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119966867
1-[6-(3-aminoazetidin-1-yl)sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 65244298
N,N-dimethyl-1-(morpholine-2-carbonyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119785904
1-[6-[3-(methylaminomethyl)pyrrolidin-1-yl]sulfonyl-2,3-dihydroindol-1-yl]ethanone
CID 119977913
4-bromo-3-fluoro-N-methyl-N-piperidin-4-ylbenzenesulfonamide
CID 103828881
1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119979655
1-acetyl-N-(4-methylpiperidin-3-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 120723261

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-methyl-N-piperidin-4-yl-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-acetyl-N-methyl-N-piperidin-4-yl-2,3-dihydroindole-6-sulfonamide (CID 119966047) is 1-acetyl-N-methyl-N-piperidin-4-yl-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-methyl-N-piperidin-4-yl-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-methyl-N-piperidin-4-yl-2,3-dihydroindole-6-sulfonamide is CC(=O)N1CCc2ccc(S(=O)(=O)N(C)C3CCNCC3)cc21.
What is the InChIKey of 1-acetyl-N-methyl-N-piperidin-4-yl-2,3-dihydroindole-6-sulfonamide?
The InChIKey is ROHJPEFIHWJFHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23N3O3S/c1-12(20)19-10-7-13-3-4-15(11-16(13)19)23(21,22)18(2)14-5-8-17-9-6-14/h3-4,11,14,17H,5-10H2,1-2H3.
What are the key properties of 1-acetyl-N-methyl-N-piperidin-4-yl-2,3-dihydroindole-6-sulfonamide?
1-acetyl-N-methyl-N-piperidin-4-yl-2,3-dihydroindole-6-sulfonamide has a molecular weight of 337.45 g/mol, XLogP of 0.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-methyl-N-piperidin-4-yl-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 119966047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).