1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide

C15H21N3O3S — CID 119974086

IUPAC1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCC3CCCN3)ccc21
InChIInChI=1S/C15H21N3O3S/c1-11(19)18-8-6-12-9-14(4-5-15(12)18)22(20,21)17-10-13-3-2-7-16-13/h4-5,9,13,16-17H,2-3,6-8,10H2,1H3
InChIKeyXSWXVMKHXDGGGK-UHFFFAOYSA-N
MW323.42 g/mol
LogP0.63
Rot. Bonds4

About 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 119974086) has the molecular formula C15H21N3O3S and a molecular weight of 323.42 g/mol. Its IUPAC name is 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID119974086
Molecular FormulaC15H21N3O3S
Molecular Weight323.42 g/mol
Exact Mass323.13
IUPAC Name1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCC3CCCN3)ccc21
InChIInChI=1S/C15H21N3O3S/c1-11(19)18-8-6-12-9-14(4-5-15(12)18)22(20,21)17-10-13-3-2-7-16-13/h4-5,9,13,16-17H,2-3,6-8,10H2,1H3
InChIKeyXSWXVMKHXDGGGK-UHFFFAOYSA-N
XLogP0.63
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.42
LogP ≤ 50.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-2-methyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 119974443
1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide
CID 119260435
1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119979250
1-[5-(pyrrolidin-2-ylmethyl)-2,3-dihydroindol-1-yl]ethanone
CID 82340900
1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-carboxamide;hydrochloride
CID 119260434
1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119964117
1-acetyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-5-sulfonamide
CID 112990869
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-N-[(3R)-pyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 79690713
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
1-acetyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 112504860
1-acetyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]-2,3-dihydroindole-5-sulfonamide
CID 26539719

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide (CID 119974086) is 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)NCC3CCCN3)ccc21.
What is the InChIKey of 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is XSWXVMKHXDGGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3O3S/c1-11(19)18-8-6-12-9-14(4-5-15(12)18)22(20,21)17-10-13-3-2-7-16-13/h4-5,9,13,16-17H,2-3,6-8,10H2,1H3.
What are the key properties of 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 323.42 g/mol, XLogP of 0.63, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(pyrrolidin-2-ylmethyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 119974086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).