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

C15H13NO3S — CID 53242345

IUPAC1-(4-methylphenyl)sulfonylindol-5-ol
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(O)ccc32)cc1
InChIInChI=1S/C15H13NO3S/c1-11-2-5-14(6-3-11)20(18,19)16-9-8-12-10-13(17)4-7-15(12)16/h2-10,17H,1H3
InChIKeyCSLQNQRLIAUKDW-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.89
Rot. Bonds2

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

1-(4-methylphenyl)sulfonylindol-5-ol (PubChem CID 53242345) has the molecular formula C15H13NO3S and a molecular weight of 287.34 g/mol. Its IUPAC name is 1-(4-methylphenyl)sulfonylindol-5-ol.

Molecular Properties

Compound Name1-(4-methylphenyl)sulfonylindol-5-ol
PubChem CID53242345
Molecular FormulaC15H13NO3S
Molecular Weight287.34 g/mol
Exact Mass287.06
IUPAC Name1-(4-methylphenyl)sulfonylindol-5-ol
SMILESCc1ccc(S(=O)(=O)n2ccc3cc(O)ccc32)cc1
InChIInChI=1S/C15H13NO3S/c1-11-2-5-14(6-3-11)20(18,19)16-9-8-12-10-13(17)4-7-15(12)16/h2-10,17H,1H3
InChIKeyCSLQNQRLIAUKDW-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

N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-4-methylbenzenesulfonamide
CID 681823
5-methoxy-1-(phenylsulfonyl)-1H-indole
CID 6473679
MS-245
CID 6918542
3-(4-Chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxy-1-(4-propan-2-ylphenyl)sulfonylindole
CID 56663077
1-(Benzenesulfonyl)-3-(4-chloro-1-ethyl-2,5-dihydropyrrol-3-yl)-5-methoxyindole
CID 56666541
1-(Benzenesulfonyl)-3-(4-chloro-1-methyl-2,5-dihydropyrrol-3-yl)-5-methoxyindole
CID 56683432
5-Methoxy-3-(1-methylpyrrolidin-3-yl)-1-(4-propan-2-ylphenyl)sulfonylindole
CID 56683496
1-(Benzenesulfonyl)-1H-indol-4-ol
CID 13437718
4-[3-(2-Diethylamino-ethyl)-5-methoxy-indole-1-sulfonyl]-phenylamine
CID 10250472
4-[5-Methoxy-3-(1,2,3,6-tetrahydro-pyridin-4-yl)-indole-1-sulfonyl]-phenylamine
CID 11361090
4-[3-(2-Dimethylamino-ethyl)-5-methoxy-indole-1-sulfonyl]-phenylamine
CID 23844114
1H-Indole, 5-methoxy-3-(1-methyl-3-pyrrolidinyl)-1-(phenylsulfonyl)-
CID 56673520

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylphenyl)sulfonylindol-5-ol?
The IUPAC name of 1-(4-methylphenyl)sulfonylindol-5-ol (CID 53242345) is 1-(4-methylphenyl)sulfonylindol-5-ol.
What is the SMILES notation for 1-(4-methylphenyl)sulfonylindol-5-ol?
The canonical SMILES for 1-(4-methylphenyl)sulfonylindol-5-ol is Cc1ccc(S(=O)(=O)n2ccc3cc(O)ccc32)cc1.
What is the InChIKey of 1-(4-methylphenyl)sulfonylindol-5-ol?
The InChIKey is CSLQNQRLIAUKDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13NO3S/c1-11-2-5-14(6-3-11)20(18,19)16-9-8-12-10-13(17)4-7-15(12)16/h2-10,17H,1H3.
What are the key properties of 1-(4-methylphenyl)sulfonylindol-5-ol?
1-(4-methylphenyl)sulfonylindol-5-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-5-ol is sourced from PubChem (CID 53242345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).