3-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide

C18H12FN3O2S2 — CID 16825193

IUPAC3-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nc3cccnc3s2)c1)c1cccc(F)c1
InChIInChI=1S/C18H12FN3O2S2/c19-13-5-2-7-15(11-13)26(23,24)22-14-6-1-4-12(10-14)17-21-16-8-3-9-20-18(16)25-17/h1-11,22H
InChIKeyQBKPKVRLYKNTSZ-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.30
Rot. Bonds4

About 3-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide

3-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide (PubChem CID 16825193) has the molecular formula C18H12FN3O2S2 and a molecular weight of 385.45 g/mol. Its IUPAC name is 3-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
PubChem CID16825193
Molecular FormulaC18H12FN3O2S2
Molecular Weight385.45 g/mol
Exact Mass385.04
IUPAC Name3-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nc3cccnc3s2)c1)c1cccc(F)c1
InChIInChI=1S/C18H12FN3O2S2/c19-13-5-2-7-15(11-13)26(23,24)22-14-6-1-4-12(10-14)17-21-16-8-3-9-20-18(16)25-17/h1-11,22H
InChIKeyQBKPKVRLYKNTSZ-UHFFFAOYSA-N
XLogP4.30
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.45
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide (CID 16825193) is 3-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-c2nc3cccnc3s2)c1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is QBKPKVRLYKNTSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2S2/c19-13-5-2-7-15(11-13)26(23,24)22-14-6-1-4-12(10-14)17-21-16-8-3-9-20-18(16)25-17/h1-11,22H.
What are the key properties of 3-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide?
3-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide has a molecular weight of 385.45 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 16825193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).