1-acetyl-N-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide

C13H18N2O5S — CID 66178167

IUPAC1-acetyl-N-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCC(O)CO)ccc21
InChIInChI=1S/C13H18N2O5S/c1-9(17)15-5-4-10-6-12(2-3-13(10)15)21(19,20)14-7-11(18)8-16/h2-3,6,11,14,16,18H,4-5,7-8H2,1H3
InChIKeyRVHZCQHGTDTDTA-UHFFFAOYSA-N
MW314.36 g/mol
LogP-0.77
Rot. Bonds5

About 1-acetyl-N-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide

1-acetyl-N-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 66178167) has the molecular formula C13H18N2O5S and a molecular weight of 314.36 g/mol. Its IUPAC name is 1-acetyl-N-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-acetyl-N-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID66178167
Molecular FormulaC13H18N2O5S
Molecular Weight314.36 g/mol
Exact Mass314.09
IUPAC Name1-acetyl-N-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide
SMILESCC(=O)N1CCc2cc(S(=O)(=O)NCC(O)CO)ccc21
InChIInChI=1S/C13H18N2O5S/c1-9(17)15-5-4-10-6-12(2-3-13(10)15)21(19,20)14-7-11(18)8-16/h2-3,6,11,14,16,18H,4-5,7-8H2,1H3
InChIKeyRVHZCQHGTDTDTA-UHFFFAOYSA-N
XLogP-0.77
TPSA106.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.36
LogP ≤ 5-0.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-acetyl-N-[(2R)-2-hydroxypropyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 39452518
1-acetyl-N-(2-oxo-2-pyrrolidin-1-ylethyl)-2,3-dihydroindole-5-sulfonamide
CID 112990869
1-acetyl-N-hydroxy-2,3-dihydroindole-5-sulfonamide
CID 82088952
1-[5-(2,3-dihydroxypropylamino)-2,3-dihydroindol-1-yl]ethanone
CID 168593573
1-acetyl-N-(3-aminobutyl)-2,3-dihydroindole-5-sulfonamide
CID 63253957
1-acetyl-2,3-dihydroindole-5-sulfonohydrazide
CID 43476939
1-acetyl-N-[2-(3,4,5-trimethylpyrazol-1-yl)propyl]-2,3-dihydroindole-5-sulfonamide
CID 46969697
1-acetyl-N-(4-aminobutyl)-2,3-dihydroindole-5-sulfonamide;hydrochloride
CID 120583725
1-acetyl-N-[(2-propan-2-ylphenyl)methyl]-2,3-dihydroindole-5-sulfonamide
CID 110671515
1-acetyl-N-[1-(hydroxymethyl)cyclopropyl]-2,3-dihydroindole-5-sulfonamide
CID 115902948
1-acetyl-N-(2-methyl-2-pyrrolidin-1-ylpropyl)-2,3-dihydroindole-5-sulfonamide
CID 112504860
2-[(1-acetyl-2,3-dihydroindol-5-yl)sulfonylamino]-N-(3-methylbutyl)acetamide
CID 112995217

Frequently Asked Questions

What is the IUPAC name of 1-acetyl-N-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-acetyl-N-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide (CID 66178167) is 1-acetyl-N-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-acetyl-N-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-acetyl-N-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide is CC(=O)N1CCc2cc(S(=O)(=O)NCC(O)CO)ccc21.
What is the InChIKey of 1-acetyl-N-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is RVHZCQHGTDTDTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O5S/c1-9(17)15-5-4-10-6-12(2-3-13(10)15)21(19,20)14-7-11(18)8-16/h2-3,6,11,14,16,18H,4-5,7-8H2,1H3.
What are the key properties of 1-acetyl-N-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide?
1-acetyl-N-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 314.36 g/mol, XLogP of -0.77, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-acetyl-N-(2,3-dihydroxypropyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 66178167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).