1-acetyl-5-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-6-sulfonamide

C17H24BrN3O3S — CID 46503650

IUPAC1-acetyl-5-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-6-sulfonamide
SMILESCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCCN3CCCC3)cc21
InChIInChI=1S/C17H24BrN3O3S/c1-13(22)21-10-5-14-11-15(18)17(12-16(14)21)25(23,24)19-6-4-9-20-7-2-3-8-20/h11-12,19H,2-10H2,1H3
InChIKeyISXINFRVEWJILE-UHFFFAOYSA-N
MW430.37 g/mol
LogP2.12
Rot. Bonds6

About 1-acetyl-5-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-6-sulfonamide

1-acetyl-5-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-6-sulfonamide (PubChem CID 46503650) has the molecular formula C17H24BrN3O3S and a molecular weight of 430.37 g/mol. Its IUPAC name is 1-acetyl-5-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-5-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-6-sulfonamide
PubChem CID46503650
Molecular FormulaC17H24BrN3O3S
Molecular Weight430.37 g/mol
Exact Mass429.07
IUPAC Name1-acetyl-5-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-6-sulfonamide
SMILESCC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCCN3CCCC3)cc21
InChIInChI=1S/C17H24BrN3O3S/c1-13(22)21-10-5-14-11-15(18)17(12-16(14)21)25(23,24)19-6-4-9-20-7-2-3-8-20/h11-12,19H,2-10H2,1H3
InChIKeyISXINFRVEWJILE-UHFFFAOYSA-N
XLogP2.12
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.37
LogP ≤ 52.12
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-5-bromo-N-(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide
CID 46503628
N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide
CID 118906182
1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide
CID 55151149
2-bromo-4-methyl-N-(3-piperidin-1-ylpropyl)benzenesulfonamide
CID 60731580
N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 55697852
5-bromo-1-(cyclopropanecarbonyl)-N-[2-(4-methylphenyl)ethyl]-2,3-dihydroindole-6-sulfonamide
CID 46374628
5-amino-2-bromo-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 65207152
1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonyl chloride
CID 161326108
ethyl 2-[1-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]cyclohexyl]acetate
CID 46374660
1-acetyl-5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide
CID 46504145
1-acetyl-5-bromo-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-6-sulfonamide
CID 46374657
3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-N-[2-(2-methylpiperidin-1-yl)ethyl]propanamide
CID 46504776

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-acetyl-5-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-6-sulfonamide (CID 46503650) is 1-acetyl-5-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-acetyl-5-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-acetyl-5-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-6-sulfonamide is CC(=O)N1CCc2cc(Br)c(S(=O)(=O)NCCCN3CCCC3)cc21.
What is the InChIKey of 1-acetyl-5-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-6-sulfonamide?
The InChIKey is ISXINFRVEWJILE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24BrN3O3S/c1-13(22)21-10-5-14-11-15(18)17(12-16(14)21)25(23,24)19-6-4-9-20-7-2-3-8-20/h11-12,19H,2-10H2,1H3.
What are the key properties of 1-acetyl-5-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-6-sulfonamide?
1-acetyl-5-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-6-sulfonamide has a molecular weight of 430.37 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-5-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 46503650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).