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

C18H12FN3O2S2 — CID 16825197

IUPAC4-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccc(F)cc1
InChIInChI=1S/C18H12FN3O2S2/c19-13-6-8-15(9-7-13)26(23,24)22-14-4-1-3-12(11-14)17-21-16-5-2-10-20-18(16)25-17/h1-11,22H
InChIKeyLFAQWXWNGLWSHZ-UHFFFAOYSA-N
MW385.45 g/mol
LogP4.30
Rot. Bonds4

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

4-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide (PubChem CID 16825197) has the molecular formula C18H12FN3O2S2 and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
PubChem CID16825197
Molecular FormulaC18H12FN3O2S2
Molecular Weight385.45 g/mol
Exact Mass385.04
IUPAC Name4-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccc(F)cc1
InChIInChI=1S/C18H12FN3O2S2/c19-13-6-8-15(9-7-13)26(23,24)22-14-4-1-3-12(11-14)17-21-16-5-2-10-20-18(16)25-17/h1-11,22H
InChIKeyLFAQWXWNGLWSHZ-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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Related Compounds

4-methyl-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16806807
4-fluoro-N-[3-(2-pyridin-2-yl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 108784214
N-[3-(1,3-benzothiazol-2-yl)phenyl]-4-chlorobenzenesulfonamide
CID 1255601
4-iodo-N-[2-methyl-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 40998612
4-fluoro-N-(3-quinolin-8-yloxyphenyl)benzenesulfonamide
CID 14127632
4-acetyl-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16800845
3-methoxy-N-[2-methyl-4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 121025164
2-[3-[3,5-bis[3,5-bis([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]phenyl]-5-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]-[1,3]thiazolo[5,4-b]pyridine
CID 23391283
2,4-dimethyl-N-[4-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide
CID 16806793
4-fluoro-N-[3-(2H-tetrazol-5-yl)phenyl]benzenesulfonamide
CID 8823430
3-nitro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzamide
CID 7141326
methyl 4-[[3-(1,3-thiazol-2-yl)phenyl]sulfamoyl]benzoate
CID 55920700

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide (CID 16825197) is 4-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cccc(-c2nc3cccnc3s2)c1)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide?
The InChIKey is LFAQWXWNGLWSHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2S2/c19-13-6-8-15(9-7-13)26(23,24)22-14-4-1-3-12(11-14)17-21-16-5-2-10-20-18(16)25-17/h1-11,22H.
What are the key properties of 4-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide?
4-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 4-fluoro-N-[3-([1,3]thiazolo[5,4-b]pyridin-2-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 16825197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).