[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanol

C20H15FN2O3S — CID 3776257

IUPAC[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanol
SMILESO=S(=O)(c1ccccc1)n1c(C(O)c2ccc(F)cc2)cc2cccnc21
InChIInChI=1S/C20H15FN2O3S/c21-16-10-8-14(9-11-16)19(24)18-13-15-5-4-12-22-20(15)23(18)27(25,26)17-6-2-1-3-7-17/h1-13,19,24H
InChIKeyACFIWNZAAZILDA-UHFFFAOYSA-N
MW382.42 g/mol
LogP3.49
Rot. Bonds4

About [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanol

[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanol (PubChem CID 3776257) has the molecular formula C20H15FN2O3S and a molecular weight of 382.42 g/mol. Its IUPAC name is [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanol.

Molecular Properties

Compound Name[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanol
PubChem CID3776257
Molecular FormulaC20H15FN2O3S
Molecular Weight382.42 g/mol
Exact Mass382.08
IUPAC Name[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanol
SMILESO=S(=O)(c1ccccc1)n1c(C(O)c2ccc(F)cc2)cc2cccnc21
InChIInChI=1S/C20H15FN2O3S/c21-16-10-8-14(9-11-16)19(24)18-13-15-5-4-12-22-20(15)23(18)27(25,26)17-6-2-1-3-7-17/h1-13,19,24H
InChIKeyACFIWNZAAZILDA-UHFFFAOYSA-N
XLogP3.49
TPSA72.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanol?
The IUPAC name of [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanol (CID 3776257) is [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanol.
What is the SMILES notation for [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanol?
The canonical SMILES for [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanol is O=S(=O)(c1ccccc1)n1c(C(O)c2ccc(F)cc2)cc2cccnc21.
What is the InChIKey of [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanol?
The InChIKey is ACFIWNZAAZILDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15FN2O3S/c21-16-10-8-14(9-11-16)19(24)18-13-15-5-4-12-22-20(15)23(18)27(25,26)17-6-2-1-3-7-17/h1-13,19,24H.
What are the key properties of [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanol?
[1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanol has a molecular weight of 382.42 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(benzenesulfonyl)pyrrolo[2,3-b]pyridin-2-yl]-(4-fluorophenyl)methanol is sourced from PubChem (CID 3776257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).