1-(4-methylphenyl)sulfonylindol-4-ol

C15H13NO3S — CID 10379309

IUPAC1-(4-methylphenyl)sulfonylindol-4-ol
SMILESCc1ccc(S(=O)(=O)n2ccc3c(O)cccc32)cc1
InChIInChI=1S/C15H13NO3S/c1-11-5-7-12(8-6-11)20(18,19)16-10-9-13-14(16)3-2-4-15(13)17/h2-10,17H,1H3
InChIKeyUUVMVWDDLRKYCB-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.89
Rot. Bonds2

About 1-(4-methylphenyl)sulfonylindol-4-ol

1-(4-methylphenyl)sulfonylindol-4-ol (PubChem CID 10379309) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonylindol-4-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonylindol-4-ol
PubChem CID10379309
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name1-(4-methylphenyl)sulfonylindol-4-ol
SMILESCc1ccc(S(=O)(=O)n2ccc3c(O)cccc32)cc1
InChIInChI=1S/C15H13NO3S/c1-11-5-7-12(8-6-11)20(18,19)16-10-9-13-14(16)3-2-4-15(13)17/h2-10,17H,1H3
InChIKeyUUVMVWDDLRKYCB-UHFFFAOYSA-N
XLogP2.89
TPSA59.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-Methylpsilocin
CID 44404883
5-methoxy-1-(phenylsulfonyl)-1H-indole
CID 6473679
1-Butyl-3-(2-dimethylamino-ethyl)-1H-indol-4-ol
CID 44404886
5-HT2A&5-HT2C agonist-1
CID 58303886
1-(Benzenesulfonyl)-1H-indol-4-ol
CID 13437718
6-methoxy-1-(phenylsulfonyl)-1H-indole
CID 852507
3-Dimethylaminomethyl-1-methyl-1H-indol-4-ol
CID 44404904
4-(4-methoxy-1H-indol-1-ylsulfonyl)benzenamine
CID 44413494
4-(6-methoxy-1H-indol-1-ylsulfonyl)benzenamine
CID 44413495
1-Benzenesulfonyl-3-(2-dimethylamino-ethyl)-1H-indol-5-ol
CID 9841077
2-[1-(benzenesulfonyl)indol-4-yl]oxy-N,N-dimethylethanamine
CID 9967991
2-[1-(Benzenesulfonyl)indol-4-yl]oxyethanamine
CID 10267837

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonylindol-4-ol?
The IUPAC name of 1-(4-methylphenyl)sulfonylindol-4-ol (CID 10379309) is 1-(4-methylphenyl)sulfonylindol-4-ol.
What is the SMILES notation for 1-(4-methylphenyl)sulfonylindol-4-ol?
The canonical SMILES for 1-(4-methylphenyl)sulfonylindol-4-ol is Cc1ccc(S(=O)(=O)n2ccc3c(O)cccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonylindol-4-ol?
The InChIKey is UUVMVWDDLRKYCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-11-5-7-12(8-6-11)20(18,19)16-10-9-13-14(16)3-2-4-15(13)17/h2-10,17H,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonylindol-4-ol?
1-(4-methylphenyl)sulfonylindol-4-ol has a molecular weight of 287.34 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylphenyl)sulfonylindol-4-ol is sourced from PubChem (CID 10379309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).