1-acetyl-5-bromo-N-(3-ethoxypropyl)-2,3-dihydroindole-7-sulfonamide

C15H21BrN2O4S — CID 126478790

IUPAC1-acetyl-5-bromo-N-(3-ethoxypropyl)-2,3-dihydroindole-7-sulfonamide
SMILESCCOCCCNS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2
InChIInChI=1S/C15H21BrN2O4S/c1-3-22-8-4-6-17-23(20,21)14-10-13(16)9-12-5-7-18(11(2)19)15(12)14/h9-10,17H,3-8H2,1-2H3
InChIKeyDQUSDBVDTLMTTE-UHFFFAOYSA-N
MW405.31 g/mol
LogP2.06
Rot. Bonds7

About 1-acetyl-5-bromo-N-(3-ethoxypropyl)-2,3-dihydroindole-7-sulfonamide

1-acetyl-5-bromo-N-(3-ethoxypropyl)-2,3-dihydroindole-7-sulfonamide (PubChem CID 126478790) has the molecular formula C15H21BrN2O4S and a molecular weight of 405.31 g/mol. Its IUPAC name is 1-acetyl-5-bromo-N-(3-ethoxypropyl)-2,3-dihydroindole-7-sulfonamide.

Molecular Properties

Compound Name1-acetyl-5-bromo-N-(3-ethoxypropyl)-2,3-dihydroindole-7-sulfonamide
PubChem CID126478790
Molecular FormulaC15H21BrN2O4S
Molecular Weight405.31 g/mol
Exact Mass404.04
IUPAC Name1-acetyl-5-bromo-N-(3-ethoxypropyl)-2,3-dihydroindole-7-sulfonamide
SMILESCCOCCCNS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2
InChIInChI=1S/C15H21BrN2O4S/c1-3-22-8-4-6-17-23(20,21)14-10-13(16)9-12-5-7-18(11(2)19)15(12)14/h9-10,17H,3-8H2,1-2H3
InChIKeyDQUSDBVDTLMTTE-UHFFFAOYSA-N
XLogP2.06
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.31
LogP ≤ 52.06
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-2,3-dihydroindole-7-sulfonyl chloride
CID 45156700
1-acetyl-5-bromo-N,N-dibutyl-2,3-dihydroindole-7-sulfonamide
CID 3267786
3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N,N-diethylpropanamide
CID 4247906
1-acetyl-5-bromo-N-(2-bromo-4-methylphenyl)-2,3-dihydroindole-7-sulfonamide
CID 22421372
1-acetyl-5-bromo-N-(5-chloro-2-methylphenyl)-2,3-dihydroindole-7-sulfonamide
CID 15992883
5-bromo-N-cyclohexyl-1-propanoyl-2,3-dihydroindole-7-sulfonamide
CID 2052773
1-acetyl-5-bromo-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2,3-dihydroindole-7-sulfonamide
CID 3625503
5-bromo-4-(3-ethoxypropylsulfamoyl)furan-2-carboxylic acid
CID 55119589
1-acetyl-5-bromo-N-(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide
CID 46503628
5-bromo-1-(cyclopropanecarbonyl)-N-[(4-methylphenyl)methyl]-2,3-dihydroindole-7-sulfonamide
CID 15987799
5-bromo-N-(3,4-dimethylphenyl)-1-propanoyl-2,3-dihydroindole-7-sulfonamide
CID 4290748
1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone
CID 82379295

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-5-bromo-N-(3-ethoxypropyl)-2,3-dihydroindole-7-sulfonamide?
The IUPAC name of 1-acetyl-5-bromo-N-(3-ethoxypropyl)-2,3-dihydroindole-7-sulfonamide (CID 126478790) is 1-acetyl-5-bromo-N-(3-ethoxypropyl)-2,3-dihydroindole-7-sulfonamide.
What is the SMILES notation for 1-acetyl-5-bromo-N-(3-ethoxypropyl)-2,3-dihydroindole-7-sulfonamide?
The canonical SMILES for 1-acetyl-5-bromo-N-(3-ethoxypropyl)-2,3-dihydroindole-7-sulfonamide is CCOCCCNS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2.
What is the InChIKey of 1-acetyl-5-bromo-N-(3-ethoxypropyl)-2,3-dihydroindole-7-sulfonamide?
The InChIKey is DQUSDBVDTLMTTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21BrN2O4S/c1-3-22-8-4-6-17-23(20,21)14-10-13(16)9-12-5-7-18(11(2)19)15(12)14/h9-10,17H,3-8H2,1-2H3.
What are the key properties of 1-acetyl-5-bromo-N-(3-ethoxypropyl)-2,3-dihydroindole-7-sulfonamide?
1-acetyl-5-bromo-N-(3-ethoxypropyl)-2,3-dihydroindole-7-sulfonamide has a molecular weight of 405.31 g/mol, XLogP of 2.06, 7 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-ethoxypropyl)-2,3-dihydroindole-7-sulfonamide is sourced from PubChem (CID 126478790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).