1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride

C14H20ClN3O3S — CID 119967228

IUPAC1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)NC3CCNC3)cc21.Cl
InChIInChI=1S/C14H19N3O3S.ClH/c1-10(18)17-7-5-11-2-3-13(8-14(11)17)21(19,20)16-12-4-6-15-9-12;/h2-3,8,12,15-16H,4-7,9H2,1H3;1H
InChIKeyVCINMNBWXBKXMA-UHFFFAOYSA-N
MW345.85 g/mol
LogP0.66
Rot. Bonds3

About 1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride

1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride (PubChem CID 119967228) has the molecular formula C14H20ClN3O3S and a molecular weight of 345.85 g/mol. Its IUPAC name is 1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride.

Molecular Properties

Compound Name1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride
PubChem CID119967228
Molecular FormulaC14H20ClN3O3S
Molecular Weight345.85 g/mol
Exact Mass345.09
IUPAC Name1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)NC3CCNC3)cc21.Cl
InChIInChI=1S/C14H19N3O3S.ClH/c1-10(18)17-7-5-11-2-3-13(8-14(11)17)21(19,20)16-12-4-6-15-9-12;/h2-3,8,12,15-16H,4-7,9H2,1H3;1H
InChIKeyVCINMNBWXBKXMA-UHFFFAOYSA-N
XLogP0.66
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.85
LogP ≤ 50.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-acetyl-N-pyrrolidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide;hydrochloride
CID 119966867
1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-6-sulfonamide
CID 119964529
1-acetyl-N-[(3R)-pyrrolidin-3-yl]-2,3-dihydroindole-5-sulfonamide
CID 79690713
1-acetyl-N-piperidin-3-yl-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119964163
1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 119964117
1-acetyl-N-(4-methylpiperidin-3-yl)-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 120723261
3-acetyl-N-piperidin-3-yl-1,2,4,5-tetrahydro-3-benzazepine-7-sulfonamide;hydrochloride
CID 120999503
1-acetyl-N-(2-piperidin-3-ylethyl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119979655
1-acetyl-N-methyl-N-piperidin-4-yl-2,3-dihydroindole-6-sulfonamide
CID 119966047
1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride
CID 119966651
3-acetyl-4-bromo-N-pyrrolidin-3-ylbenzenesulfonamide;hydrochloride
CID 75449847
N-[2-bromo-4-(pyrrolidin-3-ylsulfamoyl)phenyl]acetamide
CID 120707655

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The IUPAC name of 1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride (CID 119967228) is 1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride.
What is the SMILES notation for 1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The canonical SMILES for 1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride is CC(=O)N1CCc2ccc(S(=O)(=O)NC3CCNC3)cc21.Cl.
What is the InChIKey of 1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride?
The InChIKey is VCINMNBWXBKXMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3S.ClH/c1-10(18)17-7-5-11-2-3-13(8-14(11)17)21(19,20)16-12-4-6-15-9-12;/h2-3,8,12,15-16H,4-7,9H2,1H3;1H.
What are the key properties of 1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride?
1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride has a molecular weight of 345.85 g/mol, XLogP of 0.66, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride is sourced from PubChem (CID 119967228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).