5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol

C16H15NO3S — CID 90800425

IUPAC5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol
SMILESCc1ccc(S(=O)(=O)n2c(O)cc3cc(C)ccc32)cc1
InChIInChI=1S/C16H15NO3S/c1-11-3-6-14(7-4-11)21(19,20)17-15-8-5-12(2)9-13(15)10-16(17)18/h3-10,18H,1-2H3
InChIKeyGWXGPMXLNYQXLL-UHFFFAOYSA-N
MW301.37 g/mol
LogP3.20
Rot. Bonds2

About 5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol

5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol (PubChem CID 90800425) has the molecular formula C16H15NO3S and a molecular weight of 301.37 g/mol. Its IUPAC name is 5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol.

Molecular Properties

Compound Name5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol
PubChem CID90800425
Molecular FormulaC16H15NO3S
Molecular Weight301.37 g/mol
Exact Mass301.08
IUPAC Name5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol
SMILESCc1ccc(S(=O)(=O)n2c(O)cc3cc(C)ccc32)cc1
InChIInChI=1S/C16H15NO3S/c1-11-3-6-14(7-4-11)21(19,20)17-15-8-5-12(2)9-13(15)10-16(17)18/h3-10,18H,1-2H3
InChIKeyGWXGPMXLNYQXLL-UHFFFAOYSA-N
XLogP3.20
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.37
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,6-dimethyl-1-(4-methylphenyl)sulfonylindole
CID 10709284
3-[1-(benzenesulfonyl)-5-methylindol-2-yl]propanoic acid
CID 68677465
2-fluoro-1-(4-methylphenyl)sulfonylindole
CID 14921041
4-(5-methyl-1-methylsulfonylindol-2-yl)phenol
CID 53388445
2-[(2-bromophenoxy)methyl]-5-methyl-1-(4-methylphenyl)sulfonylindole
CID 102502829
3,8-dibromo-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole
CID 139048804
5-bromo-2-[(4-methylphenyl)methyl]-1-(4-methylphenyl)sulfonylindole
CID 135298225
7,14-bis-(4-methylphenyl)sulfonyl-3,10-dithia-7,14-diazatetracyclo[6.6.0.02,6.09,13]tetradeca-1(8),2(6),4,9(13),11-pentaene
CID 164674624
1-(4-methylphenyl)sulfonylquinolin-2-one
CID 11652332
(2Z,5Z,8Z)-1,4,7-tris-(4-methylphenyl)sulfonyl-1,4,7-triazonine
CID 12599640
5-bromo-1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridine-2-carboxylic acid
CID 166565528
1-[5-fluoro-1-(4-methylphenyl)sulfonylindol-2-yl]-2-methylbutan-1-ol
CID 162435472

Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol?
The IUPAC name of 5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol (CID 90800425) is 5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol.
What is the SMILES notation for 5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol?
The canonical SMILES for 5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol is Cc1ccc(S(=O)(=O)n2c(O)cc3cc(C)ccc32)cc1.
What is the InChIKey of 5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol?
The InChIKey is GWXGPMXLNYQXLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15NO3S/c1-11-3-6-14(7-4-11)21(19,20)17-15-8-5-12(2)9-13(15)10-16(17)18/h3-10,18H,1-2H3.
What are the key properties of 5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol?
5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol has a molecular weight of 301.37 g/mol, XLogP of 3.20, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-(4-methylphenyl)sulfonylindol-2-ol is sourced from PubChem (CID 90800425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).