1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol

C15H15NO3S — CID 10779793

IUPAC1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol
SMILESCc1ccc(S(=O)(=O)N2CCc3cc(O)ccc32)cc1
InChIInChI=1S/C15H15NO3S/c1-11-2-5-14(6-3-11)20(18,19)16-9-8-12-10-13(17)4-7-15(12)16/h2-7,10,17H,8-9H2,1H3
InChIKeyZEYKEWJLFTZGAM-UHFFFAOYSA-N
MW289.36 g/mol
LogP2.45
Rot. Bonds2

About 1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol

1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol (PubChem CID 10779793) has the molecular formula C15H15NO3S and a molecular weight of 289.36 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol
PubChem CID10779793
Molecular FormulaC15H15NO3S
Molecular Weight289.36 g/mol
Exact Mass289.08
IUPAC Name1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol
SMILESCc1ccc(S(=O)(=O)N2CCc3cc(O)ccc32)cc1
InChIInChI=1S/C15H15NO3S/c1-11-2-5-14(6-3-11)20(18,19)16-9-8-12-10-13(17)4-7-15(12)16/h2-7,10,17H,8-9H2,1H3
InChIKeyZEYKEWJLFTZGAM-UHFFFAOYSA-N
XLogP2.45
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.36
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol?
The IUPAC name of 1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol (CID 10779793) is 1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol.
What is the SMILES notation for 1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol?
The canonical SMILES for 1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol is Cc1ccc(S(=O)(=O)N2CCc3cc(O)ccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol?
The InChIKey is ZEYKEWJLFTZGAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15NO3S/c1-11-2-5-14(6-3-11)20(18,19)16-9-8-12-10-13(17)4-7-15(12)16/h2-7,10,17H,8-9H2,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol?
1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol has a molecular weight of 289.36 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonyl-2,3-dihydroindol-5-ol is sourced from PubChem (CID 10779793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).