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

C13H17BrN2O4S — CID 46503628

IUPAC1-acetyl-5-bromo-N-(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide
SMILESCOCCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O
InChIInChI=1S/C13H17BrN2O4S/c1-9(17)16-5-3-10-7-11(14)13(8-12(10)16)21(18,19)15-4-6-20-2/h7-8,15H,3-6H2,1-2H3
InChIKeyLIGNSKRFGFPNCC-UHFFFAOYSA-N
MW377.26 g/mol
LogP1.28
Rot. Bonds5

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

1-acetyl-5-bromo-N-(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide (PubChem CID 46503628) has the molecular formula C13H17BrN2O4S and a molecular weight of 377.26 g/mol. Its IUPAC name is 1-acetyl-5-bromo-N-(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-5-bromo-N-(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide
PubChem CID46503628
Molecular FormulaC13H17BrN2O4S
Molecular Weight377.26 g/mol
Exact Mass376.01
IUPAC Name1-acetyl-5-bromo-N-(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide
SMILESCOCCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O
InChIInChI=1S/C13H17BrN2O4S/c1-9(17)16-5-3-10-7-11(14)13(8-12(10)16)21(18,19)15-4-6-20-2/h7-8,15H,3-6H2,1-2H3
InChIKeyLIGNSKRFGFPNCC-UHFFFAOYSA-N
XLogP1.28
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.26
LogP ≤ 51.28
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-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-6-sulfonamide
CID 46503650
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
1-acetyl-5-bromo-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-6-sulfonamide
CID 46374657
methyl (2S)-2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]-3-phenylpropanoate
CID 118906193
1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonyl chloride
CID 161326108
1-acetyl-5-chloro-N,N-bis(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide
CID 118906183
ethyl 2-[1-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]cyclohexyl]acetate
CID 46374660
ethyl 3-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]benzoate
CID 46504139
4-acetyl-6-chloro-N-(2-methoxyethyl)-2,3-dihydro-1,4-benzoxazine-7-sulfonamide
CID 22550909
N-[2-(4-acetylpiperazin-1-yl)ethyl]-2-bromo-4,5-dimethoxybenzenesulfonamide
CID 55697852
N-(1-acetyl-2,3-dihydroindol-6-yl)-2-methoxyethanesulfonamide
CID 110307285

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-bromo-N-(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-acetyl-5-bromo-N-(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide (CID 46503628) is 1-acetyl-5-bromo-N-(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-acetyl-5-bromo-N-(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-acetyl-5-bromo-N-(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide is COCCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O.
What is the InChIKey of 1-acetyl-5-bromo-N-(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide?
The InChIKey is LIGNSKRFGFPNCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN2O4S/c1-9(17)16-5-3-10-7-11(14)13(8-12(10)16)21(18,19)15-4-6-20-2/h7-8,15H,3-6H2,1-2H3.
What are the key properties of 1-acetyl-5-bromo-N-(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide?
1-acetyl-5-bromo-N-(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide has a molecular weight of 377.26 g/mol, XLogP of 1.28, 5 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-(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 46503628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).