3-phenyl-1-pyridin-2-ylsulfonyl-2,3-dihydroindole

C19H16N2O2S — CID 102442471

IUPAC3-phenyl-1-pyridin-2-ylsulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1ccccn1)N1CC(c2ccccc2)c2ccccc21
InChIInChI=1S/C19H16N2O2S/c22-24(23,19-12-6-7-13-20-19)21-14-17(15-8-2-1-3-9-15)16-10-4-5-11-18(16)21/h1-13,17H,14H2
InChIKeyZVDGCHUIBWKKAA-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.42
Rot. Bonds3

About 3-phenyl-1-pyridin-2-ylsulfonyl-2,3-dihydroindole

3-phenyl-1-pyridin-2-ylsulfonyl-2,3-dihydroindole (PubChem CID 102442471) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 3-phenyl-1-pyridin-2-ylsulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name3-phenyl-1-pyridin-2-ylsulfonyl-2,3-dihydroindole
PubChem CID102442471
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name3-phenyl-1-pyridin-2-ylsulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1ccccn1)N1CC(c2ccccc2)c2ccccc21
InChIInChI=1S/C19H16N2O2S/c22-24(23,19-12-6-7-13-20-19)21-14-17(15-8-2-1-3-9-15)16-10-4-5-11-18(16)21/h1-13,17H,14H2
InChIKeyZVDGCHUIBWKKAA-UHFFFAOYSA-N
XLogP3.42
TPSA50.27 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.42
LogP ≤ 53.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3S)-3-methoxy-1-pyridin-2-ylsulfonyl-2,3-dihydroindole
CID 138976936
3-(3-chlorophenyl)-1-methylsulfonyl-2,3-dihydroindole
CID 18675452
(3S)-3-methyl-1-pyridin-2-ylsulfonylpiperazine
CID 86331843
(3S,4S)-3-fluoro-1-pyridin-2-ylsulfonylpiperidin-4-amine
CID 177300179
1-pyridin-2-ylsulfonylpyrrolidin-3-amine;hydrochloride
CID 91660222
2-[(5-phenylcyclopenten-1-yl)methylsulfonyl]pyridine
CID 86068707
(3S)-1-pyridin-2-ylsulfonylpiperidin-3-amine
CID 86331837
(6aR,7R,12aS)-5-(4-methylphenyl)sulfonyl-7-phenyl-6a,7,12,12a-tetrahydro-6H-quinolino[4,3-b][1,8]naphthyridine
CID 164626964
1-(1-methylpyrazol-3-yl)sulfonyl-2,3-dihydroindole-3-carboxylic acid
CID 166231449
8-fluoro-5-[(3-methyl-2,3-dihydroindol-1-yl)sulfonyl]quinoline
CID 60534849
[(1R,2aS,8bS)-4-(benzenesulfonyl)-2-(pyridin-2-ylmethyl)-1,2a,3,8b-tetrahydroazeto[2,3-c]quinolin-1-yl]methanol
CID 54652578
3-methyl-1-(2-methylsulfonylphenyl)sulfonyl-2,3-dihydroindole
CID 87026996

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-1-pyridin-2-ylsulfonyl-2,3-dihydroindole?
The IUPAC name of 3-phenyl-1-pyridin-2-ylsulfonyl-2,3-dihydroindole (CID 102442471) is 3-phenyl-1-pyridin-2-ylsulfonyl-2,3-dihydroindole.
What is the SMILES notation for 3-phenyl-1-pyridin-2-ylsulfonyl-2,3-dihydroindole?
The canonical SMILES for 3-phenyl-1-pyridin-2-ylsulfonyl-2,3-dihydroindole is O=S(=O)(c1ccccn1)N1CC(c2ccccc2)c2ccccc21.
What is the InChIKey of 3-phenyl-1-pyridin-2-ylsulfonyl-2,3-dihydroindole?
The InChIKey is ZVDGCHUIBWKKAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-24(23,19-12-6-7-13-20-19)21-14-17(15-8-2-1-3-9-15)16-10-4-5-11-18(16)21/h1-13,17H,14H2.
What are the key properties of 3-phenyl-1-pyridin-2-ylsulfonyl-2,3-dihydroindole?
3-phenyl-1-pyridin-2-ylsulfonyl-2,3-dihydroindole has a molecular weight of 336.42 g/mol, XLogP of 3.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-1-pyridin-2-ylsulfonyl-2,3-dihydroindole is sourced from PubChem (CID 102442471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).