5-bromo-N-methyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride

C16H24BrClN4O3S — CID 90231904

IUPAC5-bromo-N-methyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)CN1CCN[C@H](C)C1.Cl
InChIInChI=1S/C16H23BrN4O3S.ClH/c1-11-9-20(6-4-19-11)10-16(22)21-5-3-12-7-13(17)15(8-14(12)21)25(23,24)18-2;/h7-8,11,18-19H,3-6,9-10H2,1-2H3;1H/t11-;/m1./s1
InChIKeySEIXYCZBUUFJKE-RFVHGSKJSA-N
MW467.82 g/mol
LogP0.96
Rot. Bonds4

About 5-bromo-N-methyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride

5-bromo-N-methyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride (PubChem CID 90231904) has the molecular formula C16H24BrClN4O3S and a molecular weight of 467.82 g/mol. Its IUPAC name is 5-bromo-N-methyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride.

Molecular Properties

Compound Name5-bromo-N-methyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride
PubChem CID90231904
Molecular FormulaC16H24BrClN4O3S
Molecular Weight467.82 g/mol
Exact Mass466.04
IUPAC Name5-bromo-N-methyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride
SMILESCNS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)CN1CCN[C@H](C)C1.Cl
InChIInChI=1S/C16H23BrN4O3S.ClH/c1-11-9-20(6-4-19-11)10-16(22)21-5-3-12-7-13(17)15(8-14(12)21)25(23,24)18-2;/h7-8,11,18-19H,3-6,9-10H2,1-2H3;1H/t11-;/m1./s1
InChIKeySEIXYCZBUUFJKE-RFVHGSKJSA-N
XLogP0.96
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.82
LogP ≤ 50.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-bromo-N-methyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride with MolForge

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Related Compounds

2-(3-methylpiperazin-1-yl)-1-(6-propan-2-yl-2,3-dihydroindol-1-yl)ethanone
CID 78079114
2-[(3R)-3-methylpiperazin-1-yl]-1-(6-nitro-2,3-dihydroindol-1-yl)ethanone
CID 174698531
2-(3-methylpiperazin-1-yl)-1-[6-(trifluoromethoxy)-2,3-dihydroindol-1-yl]ethanone;hydrochloride
CID 78079147
1-(2,3-dihydropyrrolo[2,3-b]pyridin-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone;hydrochloride
CID 71471886
N-benzhydryl-5-bromo-1-propanoyl-2,3-dihydroindole-6-sulfonamide
CID 46504909
N-[(1-acetyl-5-bromo-2,3-dihydroindol-6-yl)sulfonyl]acetamide
CID 118906182
1-(6-cyclopropylsulfonyl-5-fluoro-3,3-dimethyl-2H-indol-1-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone;dihydrochloride
CID 118434104
1-acetyl-5-bromo-2,3-dihydroindole-6-sulfonamide
CID 55151149
1-(2,3-dihydro-1,4-benzothiazin-4-yl)-2-[(3R)-3-methylpiperazin-1-yl]ethanone
CID 104975373
1-acetyl-5-bromo-N-(3-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-6-sulfonamide
CID 46503650
1-[(5-bromo-1-propanoyl-2,3-dihydroindol-6-yl)sulfonyl]-N-cyclohexylpiperidine-3-carboxamide
CID 46247272
N-methyl-1-(2-thiomorpholin-3-ylacetyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119939803

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The IUPAC name of 5-bromo-N-methyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride (CID 90231904) is 5-bromo-N-methyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride.
What is the SMILES notation for 5-bromo-N-methyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The canonical SMILES for 5-bromo-N-methyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride is CNS(=O)(=O)c1cc2c(cc1Br)CCN2C(=O)CN1CCN[C@H](C)C1.Cl.
What is the InChIKey of 5-bromo-N-methyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The InChIKey is SEIXYCZBUUFJKE-RFVHGSKJSA-N. The full InChI is InChI=1S/C16H23BrN4O3S.ClH/c1-11-9-20(6-4-19-11)10-16(22)21-5-3-12-7-13(17)15(8-14(12)21)25(23,24)18-2;/h7-8,11,18-19H,3-6,9-10H2,1-2H3;1H/t11-;/m1./s1.
What are the key properties of 5-bromo-N-methyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride?
5-bromo-N-methyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride has a molecular weight of 467.82 g/mol, XLogP of 0.96, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-methyl-1-[2-[(3R)-3-methylpiperazin-1-yl]acetyl]-2,3-dihydroindole-6-sulfonamide;hydrochloride is sourced from PubChem (CID 90231904), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).