3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N,N-diethylpropanamide

C17H23BrN2O4S — CID 4247906

IUPAC3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2
InChIInChI=1S/C17H23BrN2O4S/c1-4-19(5-2)16(22)7-9-25(23,24)15-11-14(18)10-13-6-8-20(12(3)21)17(13)15/h10-11H,4-9H2,1-3H3
InChIKeyXSDLVBKGBYDXND-UHFFFAOYSA-N
MW431.35 g/mol
LogP2.39
Rot. Bonds6

About 3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N,N-diethylpropanamide

3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N,N-diethylpropanamide (PubChem CID 4247906) has the molecular formula C17H23BrN2O4S and a molecular weight of 431.35 g/mol. Its IUPAC name is 3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N,N-diethylpropanamide.

Molecular Properties

Compound Name3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N,N-diethylpropanamide
PubChem CID4247906
Molecular FormulaC17H23BrN2O4S
Molecular Weight431.35 g/mol
Exact Mass430.06
IUPAC Name3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N,N-diethylpropanamide
SMILESCCN(CC)C(=O)CCS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2
InChIInChI=1S/C17H23BrN2O4S/c1-4-19(5-2)16(22)7-9-25(23,24)15-11-14(18)10-13-6-8-20(12(3)21)17(13)15/h10-11H,4-9H2,1-3H3
InChIKeyXSDLVBKGBYDXND-UHFFFAOYSA-N
XLogP2.39
TPSA74.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.35
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-1-morpholin-4-ylpropan-1-one
CID 2052772
1-acetyl-5-bromo-N,N-dibutyl-2,3-dihydroindole-7-sulfonamide
CID 3267786
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N,N-diethylpropanamide
CID 46506133
1-acetyl-5-bromo-2,3-dihydroindole-7-sulfonyl chloride
CID 45156700
3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N-(4-methoxyphenyl)propanamide
CID 15993238
1-acetyl-5-bromo-N-(3-ethoxypropyl)-2,3-dihydroindole-7-sulfonamide
CID 126478790
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(2-methylphenyl)propanamide
CID 15987966
5-bromo-1-propanoyl-N,N-dipropyl-2,3-dihydroindole-7-sulfonamide
CID 3237215
3-[[5-bromo-1-(cyclopropanecarbonyl)-2,3-dihydroindol-7-yl]sulfonyl]-N-(2,4-dimethoxyphenyl)-N-methylpropanamide
CID 4175791
5-bromo-1-(cyclopropanecarbonyl)-N,N-diethyl-2,3-dihydroindole-7-sulfonamide
CID 4571342
3-[(5-bromo-1-propanoyl-2,3-dihydroindol-7-yl)sulfonyl]-N-(5-bromo-1,3-thiazol-2-yl)propanamide
CID 4305243
1-(5-bromo-7-methoxy-2,3-dihydroindol-1-yl)ethanone
CID 82379295

Frequently Asked Questions

What is the IUPAC name of 3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N,N-diethylpropanamide?
The IUPAC name of 3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N,N-diethylpropanamide (CID 4247906) is 3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N,N-diethylpropanamide.
What is the SMILES notation for 3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N,N-diethylpropanamide?
The canonical SMILES for 3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N,N-diethylpropanamide is CCN(CC)C(=O)CCS(=O)(=O)c1cc(Br)cc2c1N(C(C)=O)CC2.
What is the InChIKey of 3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N,N-diethylpropanamide?
The InChIKey is XSDLVBKGBYDXND-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23BrN2O4S/c1-4-19(5-2)16(22)7-9-25(23,24)15-11-14(18)10-13-6-8-20(12(3)21)17(13)15/h10-11H,4-9H2,1-3H3.
What are the key properties of 3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N,N-diethylpropanamide?
3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N,N-diethylpropanamide has a molecular weight of 431.35 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1-acetyl-5-bromo-2,3-dihydroindol-7-yl)sulfonyl]-N,N-diethylpropanamide is sourced from PubChem (CID 4247906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).