1-acetyl-N-(1-aminohexan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride

C17H28ClN3O3S — CID 119993278

IUPAC1-acetyl-N-(1-aminohexan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1ccc2c(c1)CC(C)N2C(C)=O.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-4-5-6-15(11-18)19-24(22,23)16-7-8-17-14(10-16)9-12(2)20(17)13(3)21;/h7-8,10,12,15,19H,4-6,9,11,18H2,1-3H3;1H
InChIKeyKDBNRJDDQMJVMG-UHFFFAOYSA-N
MW389.95 g/mol
LogP2.20
Rot. Bonds7

About 1-acetyl-N-(1-aminohexan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride

1-acetyl-N-(1-aminohexan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride (PubChem CID 119993278) has the molecular formula C17H28ClN3O3S and a molecular weight of 389.95 g/mol. Its IUPAC name is 1-acetyl-N-(1-aminohexan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-acetyl-N-(1-aminohexan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
PubChem CID119993278
Molecular FormulaC17H28ClN3O3S
Molecular Weight389.95 g/mol
Exact Mass389.15
IUPAC Name1-acetyl-N-(1-aminohexan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
SMILESCCCCC(CN)NS(=O)(=O)c1ccc2c(c1)CC(C)N2C(C)=O.Cl
InChIInChI=1S/C17H27N3O3S.ClH/c1-4-5-6-15(11-18)19-24(22,23)16-7-8-17-14(10-16)9-12(2)20(17)13(3)21;/h7-8,10,12,15,19H,4-6,9,11,18H2,1-3H3;1H
InChIKeyKDBNRJDDQMJVMG-UHFFFAOYSA-N
XLogP2.20
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.95
LogP ≤ 52.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-(1-amino-4-methylpentan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 119983377
1-acetyl-N-(2-amino-1-cyclohexylethyl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119983821
1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119993308
1-acetyl-N-(1-amino-2-methylpropan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119975736
1-acetyl-N-(1-aminopropan-2-yl)-N,2-dimethyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119982855
1-acetyl-N-[2-(aminomethyl)cyclopentyl]-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119985860
1-acetyl-N-[1-(aminomethyl)cyclopentyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 119980970
1-acetyl-2-methyl-N-[4-(propylsulfamoyl)phenyl]-2,3-dihydroindole-5-sulfonamide
CID 43053461
1-acetyl-N-[3-(2,6-dimethylmorpholin-4-yl)propyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 55511773
1-acetyl-2-methyl-N-[1-(1,3,5-trimethylpyrazol-4-yl)ethyl]-2,3-dihydroindole-5-sulfonamide
CID 46970597
(2S)-1-acetyl-N-[(1R)-1-(1-ethyl-3,5-dimethylpyrazol-4-yl)ethyl]-2-methyl-2,3-dihydroindole-5-sulfonamide
CID 51594645
3-[(1-acetyl-2-methyl-2,3-dihydroindol-5-yl)sulfonylamino]-3-(4-bromophenyl)propanoic acid
CID 24789979

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(1-aminohexan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride?
The IUPAC name of 1-acetyl-N-(1-aminohexan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride (CID 119993278) is 1-acetyl-N-(1-aminohexan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride.
What is the SMILES notation for 1-acetyl-N-(1-aminohexan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride?
The canonical SMILES for 1-acetyl-N-(1-aminohexan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride is CCCCC(CN)NS(=O)(=O)c1ccc2c(c1)CC(C)N2C(C)=O.Cl.
What is the InChIKey of 1-acetyl-N-(1-aminohexan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride?
The InChIKey is KDBNRJDDQMJVMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S.ClH/c1-4-5-6-15(11-18)19-24(22,23)16-7-8-17-14(10-16)9-12(2)20(17)13(3)21;/h7-8,10,12,15,19H,4-6,9,11,18H2,1-3H3;1H.
What are the key properties of 1-acetyl-N-(1-aminohexan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride?
1-acetyl-N-(1-aminohexan-2-yl)-2-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride has a molecular weight of 389.95 g/mol, XLogP of 2.20, 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-methyl-2,3-dihydroindole-5-sulfonamide;hydrochloride is sourced from PubChem (CID 119993278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).