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

C16H18N2O4S2 — CID 60531722

IUPAC1-(2-phenylethylsulfonyl)-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C16H18N2O4S2/c17-24(21,22)15-6-7-16-14(12-15)8-10-18(16)23(19,20)11-9-13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H2,17,21,22)
InChIKeyGCZZSNGNPUEOQI-UHFFFAOYSA-N
MW366.46 g/mol
LogP1.27
Rot. Bonds5

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

1-(2-phenylethylsulfonyl)-2,3-dihydroindole-5-sulfonamide (PubChem CID 60531722) has the molecular formula C16H18N2O4S2 and a molecular weight of 366.46 g/mol. Its IUPAC name is 1-(2-phenylethylsulfonyl)-2,3-dihydroindole-5-sulfonamide.

Molecular Properties

Compound Name1-(2-phenylethylsulfonyl)-2,3-dihydroindole-5-sulfonamide
PubChem CID60531722
Molecular FormulaC16H18N2O4S2
Molecular Weight366.46 g/mol
Exact Mass366.07
IUPAC Name1-(2-phenylethylsulfonyl)-2,3-dihydroindole-5-sulfonamide
SMILESNS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)CCc1ccccc1
InChIInChI=1S/C16H18N2O4S2/c17-24(21,22)15-6-7-16-14(12-15)8-10-18(16)23(19,20)11-9-13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H2,17,21,22)
InChIKeyGCZZSNGNPUEOQI-UHFFFAOYSA-N
XLogP1.27
TPSA97.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.46
LogP ≤ 51.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-phenylethylsulfonyl)-2,3-dihydroindole-5-sulfonamide?
The IUPAC name of 1-(2-phenylethylsulfonyl)-2,3-dihydroindole-5-sulfonamide (CID 60531722) is 1-(2-phenylethylsulfonyl)-2,3-dihydroindole-5-sulfonamide.
What is the SMILES notation for 1-(2-phenylethylsulfonyl)-2,3-dihydroindole-5-sulfonamide?
The canonical SMILES for 1-(2-phenylethylsulfonyl)-2,3-dihydroindole-5-sulfonamide is NS(=O)(=O)c1ccc2c(c1)CCN2S(=O)(=O)CCc1ccccc1.
What is the InChIKey of 1-(2-phenylethylsulfonyl)-2,3-dihydroindole-5-sulfonamide?
The InChIKey is GCZZSNGNPUEOQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O4S2/c17-24(21,22)15-6-7-16-14(12-15)8-10-18(16)23(19,20)11-9-13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H2,17,21,22).
What are the key properties of 1-(2-phenylethylsulfonyl)-2,3-dihydroindole-5-sulfonamide?
1-(2-phenylethylsulfonyl)-2,3-dihydroindole-5-sulfonamide has a molecular weight of 366.46 g/mol, XLogP of 1.27, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-phenylethylsulfonyl)-2,3-dihydroindole-5-sulfonamide is sourced from PubChem (CID 60531722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).