1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride

C16H26Cl2N4O3S — CID 119966651

IUPAC1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)NCCN3CCNCC3)cc21.Cl.Cl
InChIInChI=1S/C16H24N4O3S.2ClH/c1-13(21)20-8-4-14-2-3-15(12-16(14)20)24(22,23)18-7-11-19-9-5-17-6-10-19;;/h2-3,12,17-18H,4-11H2,1H3;2*1H
InChIKeyRXRAONZXVNAFJR-UHFFFAOYSA-N
MW425.38 g/mol
LogP0.62
Rot. Bonds5

About 1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride

1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride (PubChem CID 119966651) has the molecular formula C16H26Cl2N4O3S and a molecular weight of 425.38 g/mol. Its IUPAC name is 1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride.

Molecular Properties

Compound Name1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride
PubChem CID119966651
Molecular FormulaC16H26Cl2N4O3S
Molecular Weight425.38 g/mol
Exact Mass424.11
IUPAC Name1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)NCCN3CCNCC3)cc21.Cl.Cl
InChIInChI=1S/C16H24N4O3S.2ClH/c1-13(21)20-8-4-14-2-3-15(12-16(14)20)24(22,23)18-7-11-19-9-5-17-6-10-19;;/h2-3,12,17-18H,4-11H2,1H3;2*1H
InChIKeyRXRAONZXVNAFJR-UHFFFAOYSA-N
XLogP0.62
TPSA81.75 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.38
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119979655
1-acetyl-N-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119972947
1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119967228
1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119964737
4-bromo-3-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 43605186
1-acetyl-N-(3-aminobutyl)-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119972412
3-chloro-4-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 119966394
N-(3-piperazin-1-ylpropyl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide;dihydrochloride
CID 119994834
1-acetyl-N-[2-(cycloheptylamino)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119987148
3-bromo-4-chloro-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 106606518
4-acetyl-N-(2-pyrrolidin-1-ylethyl)-2,3-dihydro-1,4-benzothiazine-6-sulfonamide
CID 46283609
1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-6-sulfonamide
CID 119964529

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride?
The IUPAC name of 1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride (CID 119966651) is 1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride.
What is the SMILES notation for 1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride?
The canonical SMILES for 1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride is CC(=O)N1CCc2ccc(S(=O)(=O)NCCN3CCNCC3)cc21.Cl.Cl.
What is the InChIKey of 1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride?
The InChIKey is RXRAONZXVNAFJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N4O3S.2ClH/c1-13(21)20-8-4-14-2-3-15(12-16(14)20)24(22,23)18-7-11-19-9-5-17-6-10-19;;/h2-3,12,17-18H,4-11H2,1H3;2*1H.
What are the key properties of 1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride?
1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride has a molecular weight of 425.38 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride is sourced from PubChem (CID 119966651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).