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

C18H21N3O3S — CID 110400314

IUPAC1-acetyl-N-(3-pyridin-3-ylpropyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCCCc3cccnc3)ccc21
InChIInChI=1S/C18H21N3O3S/c1-14(22)21-11-8-16-12-17(6-7-18(16)21)25(23,24)20-10-3-5-15-4-2-9-19-13-15/h2,4,6-7,9,12-13,20H,3,5,8,10-11H2,1H3
InChIKeyMRYRFAGGSGRBIG-UHFFFAOYSA-N
MW359.45 g/mol
LogP1.90
Rot. Bonds6

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

1-acetyl-N-(3-pyridin-3-ylpropyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 110400314) has the molecular formula C18H21N3O3S and a molecular weight of 359.45 g/mol. Its IUPAC name is 1-acetyl-N-(3-pyridin-3-ylpropyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(3-pyridin-3-ylpropyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID110400314
Molecular FormulaC18H21N3O3S
Molecular Weight359.45 g/mol
Exact Mass359.13
IUPAC Name1-acetyl-N-(3-pyridin-3-ylpropyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCCCc3cccnc3)ccc21
InChIInChI=1S/C18H21N3O3S/c1-14(22)21-11-8-16-12-17(6-7-18(16)21)25(23,24)20-10-3-5-15-4-2-9-19-13-15/h2,4,6-7,9,12-13,20H,3,5,8,10-11H2,1H3
InChIKeyMRYRFAGGSGRBIG-UHFFFAOYSA-N
XLogP1.90
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-acetyl-N-(pyridin-3-ylmethyl)-2,3-dihydroindole-5-sulfonamide
CID 3640433
2-acetyl-N-(3-pyridin-3-ylpropyl)-3,4-dihydro-1H-isoquinoline-7-sulfonamide
CID 110616042
1-acetyl-N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113098326
1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 53278342
1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120583725
1-acetyl-N-[3-[benzyl(ethyl)amino]propyl]-2,3-dihydroindole-5-sulfonamide
CID 20851674
N-(4-pyridin-3-ylbutyl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 110661363
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
4-(cyclopropanecarbonyl)-N-(3-pyridin-3-ylpropyl)benzenesulfonamide
CID 110607148
1-acetyl-N-[3-(2-methylimidazol-1-yl)propyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 46971443
1-acetyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2,3-dihydroindole-5-sulfonamide
CID 31844142

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(3-pyridin-3-ylpropyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-(3-pyridin-3-ylpropyl)-2,3-dihydroindole-5-sulfonamide (CID 110400314) is 1-acetyl-N-(3-pyridin-3-ylpropyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(3-pyridin-3-ylpropyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-(3-pyridin-3-ylpropyl)-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)NCCCc3cccnc3)ccc21.
What is the InChIKey of 1-acetyl-N-(3-pyridin-3-ylpropyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is MRYRFAGGSGRBIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S/c1-14(22)21-11-8-16-12-17(6-7-18(16)21)25(23,24)20-10-3-5-15-4-2-9-19-13-15/h2,4,6-7,9,12-13,20H,3,5,8,10-11H2,1H3.
What are the key properties of 1-acetyl-N-(3-pyridin-3-ylpropyl)-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-(3-pyridin-3-ylpropyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 359.45 g/mol, XLogP of 1.90, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(3-pyridin-3-ylpropyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 110400314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).