N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide

C12H13BrN2O4S — CID 118906182

IUPACN-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide
SMILESCC(=O)NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O
InChIInChI=1S/C12H13BrN2O4S/c1-7(16)14-20(18,19)12-6-11-9(5-10(12)13)3-4-15(11)8(2)17/h5-6H,3-4H2,1-2H3,(H,14,16)
InChIKeyWCBAEJDQTSIXKK-UHFFFAOYSA-N
MW361.22 g/mol
LogP1.18
Rot. Bonds2

About N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide

N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide (PubChem CID 118906182) has the molecular formula C12H13BrN2O4S and a molecular weight of 361.22 g/mol. Its IUPAC name is N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide.

Molecular Properties

Compound NameN-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide
PubChem CID118906182
Molecular FormulaC12H13BrN2O4S
Molecular Weight361.22 g/mol
Exact Mass359.98
IUPAC NameN-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide
SMILESCC(=O)NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O
InChIInChI=1S/C12H13BrN2O4S/c1-7(16)14-20(18,19)12-6-11-9(5-10(12)13)3-4-15(11)8(2)17/h5-6H,3-4H2,1-2H3,(H,14,16)
InChIKeyWCBAEJDQTSIXKK-UHFFFAOYSA-N
XLogP1.18
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.22
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide
CID 55151149
1-acetyl-5-bromo-N-(2-methoxyethyl)-2,3-dihydroindole-6-sulfonamide
CID 46503628
1-acetyl-5-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-6-sulfonamide
CID 46503650
1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide;1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonyl chloride
CID 161326108
N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]-4-phenyltriazole-1-carboxamide
CID 138484840
1-acetyl-5-bromo-N-(3,4-dimethoxyphenyl)-2,3-dihydroindole-6-sulfonamide
CID 46374657
1-acetyl-5-bromo-2,3-dihydroindole-6-carbaldehyde
CID 60758043
1-acetyl-5-bromo-N-(1,2,3,4-tetrahydronaphthalen-1-yl)-2,3-dihydroindole-6-sulfonamide
CID 46504145
methyl (2S)-2-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonylamino]-3-phenylpropanoate
CID 118906193
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
1-(5-fluoro-6-methylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 59468850

Frequently Asked Questions

What is the IUPAC name of N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide?
The IUPAC name of N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide (CID 118906182) is N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide.
What is the SMILES notation for N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide?
The canonical SMILES for N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide is CC(=O)NS(=O)(=O)c1cc2c(cc1Br)CCN2C(C)=O.
What is the InChIKey of N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide?
The InChIKey is WCBAEJDQTSIXKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN2O4S/c1-7(16)14-20(18,19)12-6-11-9(5-10(12)13)3-4-15(11)8(2)17/h5-6H,3-4H2,1-2H3,(H,14,16).
What are the key properties of N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide?
N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide has a molecular weight of 361.22 g/mol, XLogP of 1.18, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide is sourced from PubChem (CID 118906182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).