1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole

C19H16N2O2S — CID 110454424

IUPAC1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1ccc(-c2ccncc2)cc1)N1CCc2ccccc21
InChIInChI=1S/C19H16N2O2S/c22-24(23,21-14-11-17-3-1-2-4-19(17)21)18-7-5-15(6-8-18)16-9-12-20-13-10-16/h1-10,12-13H,11,14H2
InChIKeyPAFLILZZYMUUPX-UHFFFAOYSA-N
MW336.42 g/mol
LogP3.50
Rot. Bonds3

About 1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole

1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole (PubChem CID 110454424) has the molecular formula C19H16N2O2S and a molecular weight of 336.42 g/mol. Its IUPAC name is 1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole.

Molecular Properties

Compound Name1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole
PubChem CID110454424
Molecular FormulaC19H16N2O2S
Molecular Weight336.42 g/mol
Exact Mass336.09
IUPAC Name1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole
SMILESO=S(=O)(c1ccc(-c2ccncc2)cc1)N1CCc2ccccc21
InChIInChI=1S/C19H16N2O2S/c22-24(23,21-14-11-17-3-1-2-4-19(17)21)18-7-5-15(6-8-18)16-9-12-20-13-10-16/h1-10,12-13H,11,14H2
InChIKeyPAFLILZZYMUUPX-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-pyridin-3-ylphenyl)sulfonyl-2,3-dihydroindole
CID 110454423
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]pyridine-4-carboxamide
CID 4930404
1-[4-[4-(2,3-dihydroindol-1-ylsulfonyl)phenoxy]phenyl]sulfonyl-2,3-dihydroindole
CID 91670097
1-(benzenesulfonyl)-2,3-dihydropyrrolo[3,2-c]pyridine
CID 86768717
4-(2,3-dihydroindol-1-ylsulfonyl)benzoic acid
CID 856543
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylbenzenesulfonamide
CID 134034304
4-(2,3-dihydroindol-1-ylsulfonyl)-N-methylaniline
CID 43332089
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]-4-phenylbenzamide
CID 1010301
1-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]ethanamine
CID 43106392
1-(2,3-dihydro-1H-inden-5-ylsulfonyl)-2,3-dihydroindole
CID 4806110
N-[4-(2,3-dihydroindol-1-ylsulfonyl)phenyl]acetamide
CID 720099
1-[(2-chloro-4-pyridinyl)sulfonyl]-2,3-dihydroindole
CID 54895623

Frequently Asked Questions

What is the IUPAC name of 1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole?
The IUPAC name of 1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole (CID 110454424) is 1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole.
What is the SMILES notation for 1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole?
The canonical SMILES for 1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole is O=S(=O)(c1ccc(-c2ccncc2)cc1)N1CCc2ccccc21.
What is the InChIKey of 1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole?
The InChIKey is PAFLILZZYMUUPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N2O2S/c22-24(23,21-14-11-17-3-1-2-4-19(17)21)18-7-5-15(6-8-18)16-9-12-20-13-10-16/h1-10,12-13H,11,14H2.
What are the key properties of 1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole?
1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole has a molecular weight of 336.42 g/mol, XLogP of 3.50, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-pyridin-4-ylphenyl)sulfonyl-2,3-dihydroindole is sourced from PubChem (CID 110454424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).