1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride

C14H22ClN3O3S — CID 120583725

IUPAC1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCCCCN)ccc21.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-11(18)17-9-6-12-10-13(4-5-14(12)17)21(19,20)16-8-3-2-7-15;/h4-5,10,16H,2-3,6-9,15H2,1H3;1H
InChIKeyUNMHLIUPIJOXLW-UHFFFAOYSA-N
MW347.87 g/mol
LogP1.03
Rot. Bonds6

About 1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride

1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride (PubChem CID 120583725) has the molecular formula C14H22ClN3O3S and a molecular weight of 347.87 g/mol. Its IUPAC name is 1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
PubChem CID120583725
Molecular FormulaC14H22ClN3O3S
Molecular Weight347.87 g/mol
Exact Mass347.11
IUPAC Name1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCCCCN)ccc21.Cl
InChIInChI=1S/C14H21N3O3S.ClH/c1-11(18)17-9-6-12-10-13(4-5-14(12)17)21(19,20)16-8-3-2-7-15;/h4-5,10,16H,2-3,6-9,15H2,1H3;1H
InChIKeyUNMHLIUPIJOXLW-UHFFFAOYSA-N
XLogP1.03
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.87
LogP ≤ 51.03
H-Bond Donors ≤ 52
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-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
1-acetyl-N-(3-imidazol-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 53278342
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
3-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(2,4-difluorophenyl)propanamide
CID 46253964
1-acetyl-N-(3-pyridin-3-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 110400314
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-butylacetamide
CID 112990704
1-acetyl-N-(2-aminooxyethyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39453809
1-acetyl-N-[2-(3,5-dimethylphenoxy)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 30365992
1-acetyl-N-(3-phenylpropyl)-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 113098326
1-acetyl-N-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide
CID 66178167
1-acetyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-5-sulfonamide
CID 112990869

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride?
The IUPAC name of 1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride (CID 120583725) is 1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride.
What is the SMILES notation for 1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride?
The canonical SMILES for 1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride is CC(=O)N1CCc2cc(S(=O)(=O)NCCCCN)ccc21.Cl.
What is the InChIKey of 1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride?
The InChIKey is UNMHLIUPIJOXLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S.ClH/c1-11(18)17-9-6-12-10-13(4-5-14(12)17)21(19,20)16-8-3-2-7-15;/h4-5,10,16H,2-3,6-9,15H2,1H3;1H.
What are the key properties of 1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride?
1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride has a molecular weight of 347.87 g/mol, XLogP of 1.03, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 120583725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).