1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide

C16H16N2O3S2 — CID 71060712

IUPAC1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSc1ccccc1
InChIInChI=1S/C16H16N2O3S2/c17-23(20,21)14-6-7-15-12(10-14)8-9-18(15)16(19)11-22-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H2,17,20,21)
InChIKeyWHSMDZAMNNAPIO-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.02
Rot. Bonds4

About 1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide

1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 71060712) has the molecular formula C16H16N2O3S2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID71060712
Molecular FormulaC16H16N2O3S2
Molecular Weight348.45 g/mol
Exact Mass348.06
IUPAC Name1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSc1ccccc1
InChIInChI=1S/C16H16N2O3S2/c17-23(20,21)14-6-7-15-12(10-14)8-9-18(15)16(19)11-22-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H2,17,20,21)
InChIKeyWHSMDZAMNNAPIO-UHFFFAOYSA-N
XLogP2.02
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2,5-dichlorophenyl)sulfanylacetyl]-2,3-dihydroindole-5-sulfonamide
CID 24526881
1-[2-(4-benzoylpiperazin-1-yl)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18286340
1-(2-methoxyacetyl)-2,3-dihydroindole-5-sulfonamide
CID 60698789
1-but-3-enoyl-2,3-dihydroindole-5-sulfonamide
CID 62678193
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] naphthalene-2-carboxylate
CID 27310904
1-[2-(2-bromophenoxy)acetyl]-2,3-dihydroindole-5-sulfonamide
CID 55448423
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-phenylbenzoate
CID 55448774
1-hexanoyl-2,3-dihydroindole-5-sulfonamide
CID 60723591
1-[2-[4-(azepan-1-ylsulfonyl)piperazin-1-yl]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 16599297
2-(4-fluorophenyl)sulfanyl-1-(5-piperidin-1-ylsulfonyl-2,3-dihydroindol-1-yl)ethanone
CID 18097857
[2-oxo-2-(5-sulfamoyl-2,3-dihydroindol-1-yl)ethyl] 2-iodobenzoate
CID 46645204
1-[2-[methyl-(2-oxo-2-pyrrolidin-1-ylethyl)amino]acetyl]-2,3-dihydroindole-5-sulfonamide
CID 18284239

Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide (CID 71060712) is 1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CCN2C(=O)CSc1ccccc1.
What is the InChIKey of 1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is WHSMDZAMNNAPIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S2/c17-23(20,21)14-6-7-15-12(10-14)8-9-18(15)16(19)11-22-13-4-2-1-3-5-13/h1-7,10H,8-9,11H2,(H2,17,20,21).
What are the key properties of 1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide?
1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 348.45 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylsulfanylacetyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 71060712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).