[1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanol

C20H16N2O3S — CID 11842262

IUPAC[1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanol
SMILESO=S(=O)(c1ccccc1)n1c(C(O)c2ccccn2)cc2ccccc21
InChIInChI=1S/C20H16N2O3S/c23-20(17-11-6-7-13-21-17)19-14-15-8-4-5-12-18(15)22(19)26(24,25)16-9-2-1-3-10-16/h1-14,20,23H
InChIKeyRYYOPVUTBNPTIE-UHFFFAOYSA-N
MW364.43 g/mol
LogP3.36
Rot. Bonds4

About [1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanol

[1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanol (PubChem CID 11842262) has the molecular formula C20H16N2O3S and a molecular weight of 364.43 g/mol. Its IUPAC name is [1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanol.

Molecular Properties

Compound Name[1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanol
PubChem CID11842262
Molecular FormulaC20H16N2O3S
Molecular Weight364.43 g/mol
Exact Mass364.09
IUPAC Name[1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanol
SMILESO=S(=O)(c1ccccc1)n1c(C(O)c2ccccn2)cc2ccccc21
InChIInChI=1S/C20H16N2O3S/c23-20(17-11-6-7-13-21-17)19-14-15-8-4-5-12-18(15)22(19)26(24,25)16-9-2-1-3-10-16/h1-14,20,23H
InChIKeyRYYOPVUTBNPTIE-UHFFFAOYSA-N
XLogP3.36
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Dimethylamino-1-(toluene-4-sulfonyl)-1,3,4,5-tetrahydro-benzo[cd]indol-5-ol
CID 6918601
4-[1-(Benzenesulfonyl)pyrrolo[3,2-c]pyridin-2-yl]-4-hydroxycyclohexa-2,5-dien-1-one
CID 16124792
4-Hydroxy-4-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-c]pyridin-2-yl]cyclohexa-2,5-dien-1-one
CID 16124858
4-Hydroxy-4-(1-pyridin-3-ylsulfonylindol-2-yl)cyclohexa-2,5-dien-1-one
CID 16124860
4-Hydroxy-4-[1-[4-(3-hydroxypropyl)phenyl]sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one
CID 57391533
4-Hydroxy-4-[1-[4-[3-(4-methylpiperazin-1-yl)propyl]phenyl]sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one
CID 57392850
4-Hydroxy-4-[1-[4-(3-morpholin-4-ylpropyl)phenyl]sulfonylindol-2-yl]cyclohexa-2,5-dien-1-one
CID 57399771
(1-tosyl-1H-indol-3-yl)methanol
CID 839263
4-[3-[(2S)-2,3-dihydroxypropyl]indol-1-yl]-N-(4-fluorophenyl)-N-methylbenzenesulfonamide
CID 54767504
(R)-1-ethyl-N-(1-(4-(ethylsulfonyl)phenyl)-2-hydroxyethyl)-2-(5-(trifluoromethyl)picolinoyl)-1H-indole-5-carboxamide
CID 126556069
[2-[4-(5-Fluoropyrazol-1-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol
CID 146446214
[2-[4-(4,5-Dihydro-1,3-oxazol-2-yl)phenyl]sulfonyl-1,3-dihydropyrrolo[3,4-c]pyridin-6-yl]-phenylmethanol
CID 154963858

Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanol?
The IUPAC name of [1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanol (CID 11842262) is [1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanol.
What is the SMILES notation for [1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanol?
The canonical SMILES for [1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanol is O=S(=O)(c1ccccc1)n1c(C(O)c2ccccn2)cc2ccccc21.
What is the InChIKey of [1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanol?
The InChIKey is RYYOPVUTBNPTIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S/c23-20(17-11-6-7-13-21-17)19-14-15-8-4-5-12-18(15)22(19)26(24,25)16-9-2-1-3-10-16/h1-14,20,23H.
What are the key properties of [1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanol?
[1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanol has a molecular weight of 364.43 g/mol, XLogP of 3.36, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)indol-2-yl]-pyridin-2-ylmethanol is sourced from PubChem (CID 11842262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).