2-hydroxy-1-(2-methoxyphenyl)sulfonylindole-5-carbonitrile

C16H12N2O4S — CID 90862686

IUPAC2-hydroxy-1-(2-methoxyphenyl)sulfonylindole-5-carbonitrile
SMILESCOc1ccccc1S(=O)(=O)n1c(O)cc2cc(C#N)ccc21
InChIInChI=1S/C16H12N2O4S/c1-22-14-4-2-3-5-15(14)23(20,21)18-13-7-6-11(10-17)8-12(13)9-16(18)19/h2-9,19H,1H3
InChIKeyUEBQOXVAUICFQF-UHFFFAOYSA-N
MW328.35 g/mol
LogP2.46
Rot. Bonds3

About 2-hydroxy-1-(2-methoxyphenyl)sulfonylindole-5-carbonitrile

2-hydroxy-1-(2-methoxyphenyl)sulfonylindole-5-carbonitrile (PubChem CID 90862686) has the molecular formula C16H12N2O4S and a molecular weight of 328.35 g/mol. Its IUPAC name is 2-hydroxy-1-(2-methoxyphenyl)sulfonylindole-5-carbonitrile.

Molecular Properties

Compound Name2-hydroxy-1-(2-methoxyphenyl)sulfonylindole-5-carbonitrile
PubChem CID90862686
Molecular FormulaC16H12N2O4S
Molecular Weight328.35 g/mol
Exact Mass328.05
IUPAC Name2-hydroxy-1-(2-methoxyphenyl)sulfonylindole-5-carbonitrile
SMILESCOc1ccccc1S(=O)(=O)n1c(O)cc2cc(C#N)ccc21
InChIInChI=1S/C16H12N2O4S/c1-22-14-4-2-3-5-15(14)23(20,21)18-13-7-6-11(10-17)8-12(13)9-16(18)19/h2-9,19H,1H3
InChIKeyUEBQOXVAUICFQF-UHFFFAOYSA-N
XLogP2.46
TPSA92.32 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.35
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(2,4-dimethoxyphenyl)sulfonyl-3-(2-ethoxyphenyl)-2-hydroxyindole-5-carbonitrile
CID 91804888
N-(4-cyanophenyl)-2-methoxybenzenesulfonamide
CID 47104401
1-(benzenesulfonyl)-2-(2-bromoacetyl)indole-5-carbonitrile
CID 89395225
5-methoxynaphthalene-2-carbonitrile
CID 22243517
6-hydroxy-7-methoxynaphthalene-2-carbonitrile
CID 121009113
4-methoxy-3-[(E)-2-methylsulfonylethenyl]benzonitrile
CID 154720947
3-methoxy-4-piperazin-1-ylsulfonylbenzonitrile;hydrochloride
CID 120999088
1-(benzenesulfonyl)-2-methylindole-6-carbonitrile
CID 170985237
2-cyclopropyl-1-(3,5-difluoro-2-hydroxyphenyl)sulfonylindole-5-carbonitrile
CID 146604647
4-[(2S)-2-hydroxy-3-(2-methoxyphenyl)sulfonylpropoxy]benzonitrile
CID 1485355
methyl 5-cyanoindole-1-carboxylate
CID 15422551
3-hydroxy-4-methoxybenzonitrile;methanol
CID 174363107

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-1-(2-methoxyphenyl)sulfonylindole-5-carbonitrile?
The IUPAC name of 2-hydroxy-1-(2-methoxyphenyl)sulfonylindole-5-carbonitrile (CID 90862686) is 2-hydroxy-1-(2-methoxyphenyl)sulfonylindole-5-carbonitrile.
What is the SMILES notation for 2-hydroxy-1-(2-methoxyphenyl)sulfonylindole-5-carbonitrile?
The canonical SMILES for 2-hydroxy-1-(2-methoxyphenyl)sulfonylindole-5-carbonitrile is COc1ccccc1S(=O)(=O)n1c(O)cc2cc(C#N)ccc21.
What is the InChIKey of 2-hydroxy-1-(2-methoxyphenyl)sulfonylindole-5-carbonitrile?
The InChIKey is UEBQOXVAUICFQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N2O4S/c1-22-14-4-2-3-5-15(14)23(20,21)18-13-7-6-11(10-17)8-12(13)9-16(18)19/h2-9,19H,1H3.
What are the key properties of 2-hydroxy-1-(2-methoxyphenyl)sulfonylindole-5-carbonitrile?
2-hydroxy-1-(2-methoxyphenyl)sulfonylindole-5-carbonitrile has a molecular weight of 328.35 g/mol, XLogP of 2.46, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-1-(2-methoxyphenyl)sulfonylindole-5-carbonitrile is sourced from PubChem (CID 90862686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).