1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride

C16H26ClN3O3S — CID 119993308

IUPAC1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-3-4-5-14(11-17)18-23(21,22)15-7-6-13-8-9-19(12(2)20)16(13)10-15;/h6-7,10,14,18H,3-5,8-9,11,17H2,1-2H3;1H
InChIKeyJMMQPEHSDZAPLD-UHFFFAOYSA-N
MW375.92 g/mol
LogP1.81
Rot. Bonds7

About 1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride

1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride (PubChem CID 119993308) has the molecular formula C16H26ClN3O3S and a molecular weight of 375.92 g/mol. Its IUPAC name is 1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
PubChem CID119993308
Molecular FormulaC16H26ClN3O3S
Molecular Weight375.92 g/mol
Exact Mass375.14
IUPAC Name1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2.Cl
InChIInChI=1S/C16H25N3O3S.ClH/c1-3-4-5-14(11-17)18-23(21,22)15-7-6-13-8-9-19(12(2)20)16(13)10-15;/h6-7,10,14,18H,3-5,8-9,11,17H2,1-2H3;1H
InChIKeyJMMQPEHSDZAPLD-UHFFFAOYSA-N
XLogP1.81
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.92
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride with MolForge

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Related Compounds

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1-acetyl-N-(1-aminohexan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
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5-(1-aminohexan-2-ylsulfamoyl)-2-methylbenzamide;hydrochloride
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1-(2-aminopentanoyl)-N-methyl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119334262
1-acetyl-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-6-sulfonamide
CID 82725077
N-(1-aminohexan-2-yl)-4-methylbenzenesulfonamide;hydrochloride
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N-(1-aminohexan-2-yl)-1-oxo-3,4-dihydro-2H-isoquinoline-7-sulfonamide
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1-acetyl-N-(3-aminobutyl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119972412
1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide
CID 122141660
1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride
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4-(1-aminohexan-2-ylsulfamoyl)-N,N-dimethylbenzamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The IUPAC name of 1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride (CID 119993308) is 1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride.
What is the SMILES notation for 1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The canonical SMILES for 1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride is CCCCC(CN)NS(=O)(=O)c1ccc2c(c1)N(C(C)=O)CC2.Cl.
What is the InChIKey of 1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The InChIKey is JMMQPEHSDZAPLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3O3S.ClH/c1-3-4-5-14(11-17)18-23(21,22)15-7-6-13-8-9-19(12(2)20)16(13)10-15;/h6-7,10,14,18H,3-5,8-9,11,17H2,1-2H3;1H.
What are the key properties of 1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride?
1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride has a molecular weight of 375.92 g/mol, XLogP of 1.81, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride is sourced from PubChem (CID 119993308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).