1-acetyl-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-6-sulfonamide

C14H20N2O4S — CID 82725077

IUPAC1-acetyl-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-6-sulfonamide
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)NOC(C)(C)C)cc21
InChIInChI=1S/C14H20N2O4S/c1-10(17)16-8-7-11-5-6-12(9-13(11)16)21(18,19)15-20-14(2,3)4/h5-6,9,15H,7-8H2,1-4H3
InChIKeyXSTDHUDTYLUDPS-UHFFFAOYSA-N
MW312.39 g/mol
LogP1.60
Rot. Bonds3

About 1-acetyl-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-6-sulfonamide

1-acetyl-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-6-sulfonamide (PubChem CID 82725077) has the molecular formula C14H20N2O4S and a molecular weight of 312.39 g/mol. Its IUPAC name is 1-acetyl-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-6-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-6-sulfonamide
PubChem CID82725077
Molecular FormulaC14H20N2O4S
Molecular Weight312.39 g/mol
Exact Mass312.11
IUPAC Name1-acetyl-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-6-sulfonamide
SMILESCC(=O)N1CCc2ccc(S(=O)(=O)NOC(C)(C)C)cc21
InChIInChI=1S/C14H20N2O4S/c1-10(17)16-8-7-11-5-6-12(9-13(11)16)21(18,19)15-20-14(2,3)4/h5-6,9,15H,7-8H2,1-4H3
InChIKeyXSTDHUDTYLUDPS-UHFFFAOYSA-N
XLogP1.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.39
LogP ≤ 51.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

1-acetyl-N-[2-(methylamino)ethyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119972947
1-acetyl-N-(4,6-dimethylpyrimidin-2-yl)-2,3-dihydroindole-6-sulfonamide
CID 122141660
1-acetyl-N-(2-chlorophenyl)-2,3-dihydroindole-6-sulfonamide
CID 2940704
1-acetyl-N-[3-(methylamino)propyl]-3,4-dihydro-2H-quinoline-7-sulfonamide
CID 119964737
1-acetyl-N-pyrrolidin-3-yl-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119967228
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-acetyl-N-(1-aminohexan-2-yl)-2,3-dihydroindole-6-sulfonamide;hydrochloride
CID 119993308
1-acetyl-N-(2-piperazin-1-ylethyl)-2,3-dihydroindole-6-sulfonamide;dihydrochloride
CID 119966651
1-acetyl-N-piperidin-3-yl-2,3-dihydroindole-6-sulfonamide
CID 119964529
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
1-acetyl-N-[tert-butyl(dimethyl)silyl]-2,3-dihydroindole-5-sulfonamide
CID 166596719
methyl N-[4-[(1-acetyl-2,3-dihydroindol-6-yl)sulfamoyl]phenyl]carbamate
CID 91624470

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-6-sulfonamide?
The IUPAC name of 1-acetyl-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-6-sulfonamide (CID 82725077) is 1-acetyl-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-6-sulfonamide.
What is the SMILES notation for 1-acetyl-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-6-sulfonamide?
The canonical SMILES for 1-acetyl-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-6-sulfonamide is CC(=O)N1CCc2ccc(S(=O)(=O)NOC(C)(C)C)cc21.
What is the InChIKey of 1-acetyl-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-6-sulfonamide?
The InChIKey is XSTDHUDTYLUDPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O4S/c1-10(17)16-8-7-11-5-6-12(9-13(11)16)21(18,19)15-20-14(2,3)4/h5-6,9,15H,7-8H2,1-4H3.
What are the key properties of 1-acetyl-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-6-sulfonamide?
1-acetyl-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-6-sulfonamide has a molecular weight of 312.39 g/mol, XLogP of 1.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-[(2-methylpropan-2-yl)oxy]-2,3-dihydroindole-6-sulfonamide is sourced from PubChem (CID 82725077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).