1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide

C16H20N4O3S — CID 53278342

IUPAC1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCCCn3ccnc3)ccc21
InChIInChI=1S/C16H20N4O3S/c1-13(21)20-9-5-14-11-15(3-4-16(14)20)24(22,23)18-6-2-8-19-10-7-17-12-19/h3-4,7,10-12,18H,2,5-6,8-9H2,1H3
InChIKeySLQIHBXWBVSEFO-UHFFFAOYSA-N
MW348.43 g/mol
LogP1.16
Rot. Bonds6

About 1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 53278342) has the molecular formula C16H20N4O3S and a molecular weight of 348.43 g/mol. Its IUPAC name is 1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID53278342
Molecular FormulaC16H20N4O3S
Molecular Weight348.43 g/mol
Exact Mass348.13
IUPAC Name1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCCCn3ccnc3)ccc21
InChIInChI=1S/C16H20N4O3S/c1-13(21)20-9-5-14-11-15(3-4-16(14)20)24(22,23)18-6-2-8-19-10-7-17-12-19/h3-4,7,10-12,18H,2,5-6,8-9H2,1H3
InChIKeySLQIHBXWBVSEFO-UHFFFAOYSA-N
XLogP1.16
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.43
LogP ≤ 51.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120583725
1-acetyl-N-(3-pyridin-3-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 110400314
1-acetyl-N-[3-(2-methylimidazol-1-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46971443
N-(4-imidazol-1-ylbutyl)-3,4-dimethylbenzenesulfonamide
CID 110446607
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
N-(6-imidazol-1-ylhexyl)-3,4-dimethylbenzenesulfonamide
CID 110446613
N-(3-imidazol-1-ylpropyl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51072939
1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3640433
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide
CID 112990704
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
N-[3-(4-imidazol-1-ylbutylsulfamoyl)phenyl]acetamide
CID 110446281

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide (CID 53278342) is 1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)NCCCn3ccnc3)ccc21.
What is the InChIKey of 1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is SLQIHBXWBVSEFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O3S/c1-13(21)20-9-5-14-11-15(3-4-16(14)20)24(22,23)18-6-2-8-19-10-7-17-12-19/h3-4,7,10-12,18H,2,5-6,8-9H2,1H3.
What are the key properties of 1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 348.43 g/mol, XLogP of 1.16, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 53278342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).