1-[1-(benzenesulfonyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-2-cyclopentylethanone

C20H19FN2O3S — CID 67227873

IUPAC1-[1-(benzenesulfonyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)c1cc2cc(F)cnc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H19FN2O3S/c21-16-11-15-12-18(19(24)10-14-6-4-5-7-14)23(20(15)22-13-16)27(25,26)17-8-2-1-3-9-17/h1-3,8-9,11-14H,4-7,10H2
InChIKeyPNUIYJRDTATIEZ-UHFFFAOYSA-N
MW386.45 g/mol
LogP4.18
Rot. Bonds5

About 1-[1-(benzenesulfonyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-2-cyclopentylethanone

1-[1-(benzenesulfonyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-2-cyclopentylethanone (PubChem CID 67227873) has the molecular formula C20H19FN2O3S and a molecular weight of 386.45 g/mol. Its IUPAC name is 1-[1-(benzenesulfonyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-2-cyclopentylethanone.

Molecular Properties

Compound Name1-[1-(benzenesulfonyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-2-cyclopentylethanone
PubChem CID67227873
Molecular FormulaC20H19FN2O3S
Molecular Weight386.45 g/mol
Exact Mass386.11
IUPAC Name1-[1-(benzenesulfonyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-2-cyclopentylethanone
SMILESO=C(CC1CCCC1)c1cc2cc(F)cnc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C20H19FN2O3S/c21-16-11-15-12-18(19(24)10-14-6-4-5-7-14)23(20(15)22-13-16)27(25,26)17-8-2-1-3-9-17/h1-3,8-9,11-14H,4-7,10H2
InChIKeyPNUIYJRDTATIEZ-UHFFFAOYSA-N
XLogP4.18
TPSA69.03 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.45
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzenesulfonyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-2-cyclopentylethanone?
The IUPAC name of 1-[1-(benzenesulfonyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-2-cyclopentylethanone (CID 67227873) is 1-[1-(benzenesulfonyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-2-cyclopentylethanone.
What is the SMILES notation for 1-[1-(benzenesulfonyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-2-cyclopentylethanone?
The canonical SMILES for 1-[1-(benzenesulfonyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-2-cyclopentylethanone is O=C(CC1CCCC1)c1cc2cc(F)cnc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-[1-(benzenesulfonyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-2-cyclopentylethanone?
The InChIKey is PNUIYJRDTATIEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2O3S/c21-16-11-15-12-18(19(24)10-14-6-4-5-7-14)23(20(15)22-13-16)27(25,26)17-8-2-1-3-9-17/h1-3,8-9,11-14H,4-7,10H2.
What are the key properties of 1-[1-(benzenesulfonyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-2-cyclopentylethanone?
1-[1-(benzenesulfonyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-2-cyclopentylethanone has a molecular weight of 386.45 g/mol, XLogP of 4.18, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzenesulfonyl)-5-fluoropyrrolo[2,3-b]pyridin-2-yl]-2-cyclopentylethanone is sourced from PubChem (CID 67227873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).