3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-sulfonamide

C21H16FN3O3S — CID 24830938

IUPAC3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-sulfonamide
SMILESCc1ccc(-c2ncco2)cc1-c1ccc(NS(=O)(=O)c2ccncc2F)cc1
InChIInChI=1S/C21H16FN3O3S/c1-14-2-3-16(21-24-10-11-28-21)12-18(14)15-4-6-17(7-5-15)25-29(26,27)20-8-9-23-13-19(20)22/h2-13,25H,1H3
InChIKeyFVGXBHIAJOHYQB-UHFFFAOYSA-N
MW409.44 g/mol
LogP4.65
Rot. Bonds5

About 3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-sulfonamide

3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-sulfonamide (PubChem CID 24830938) has the molecular formula C21H16FN3O3S and a molecular weight of 409.44 g/mol. Its IUPAC name is 3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-sulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-sulfonamide
PubChem CID24830938
Molecular FormulaC21H16FN3O3S
Molecular Weight409.44 g/mol
Exact Mass409.09
IUPAC Name3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-sulfonamide
SMILESCc1ccc(-c2ncco2)cc1-c1ccc(NS(=O)(=O)c2ccncc2F)cc1
InChIInChI=1S/C21H16FN3O3S/c1-14-2-3-16(21-24-10-11-28-21)12-18(14)15-4-6-17(7-5-15)25-29(26,27)20-8-9-23-13-19(20)22/h2-13,25H,1H3
InChIKeyFVGXBHIAJOHYQB-UHFFFAOYSA-N
XLogP4.65
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.44
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-Fluoro-4-[[6-[1-(3-piperazin-1-ylphenyl)ethyl]-1,3-dihydropyrrolo[3,4-c]pyridin-2-yl]sulfonyl]phenyl]-1,3-oxazole
CID 162773065
4-[2-((R)-4-Fluoro-phenyl)-oxazol-5-yl]-N-{4-[2-(2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide
CID 12017002
4-[2-(3,4-Difluoro-phenyl)-oxazol-5-yl]-N-{(R)-4-[2-(2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide
CID 12017003
4-[2-(3,4-Difluoro-benzyl)-oxazol-5-yl]-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide
CID 12017004
N-{4-[2-((R)-2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-[2-(3,4,5-trifluoro-benzyl)-oxazol-5-yl]-benzenesulfonamide
CID 12017014
5-(2-Cyclopropyl-1,3-oxazol-5-YL)-N-(4-ethylphenyl)-2-methylbenzene-1-sulfonamide
CID 16028042
4-(2-Cyclopropyl-1,3-oxazol-5-YL)-N-(2,4-dimethylphenyl)benzene-1-sulfonamide
CID 20959080
4-(2-Cyclopropyl-1,3-oxazol-5-YL)-N-(3,4-dimethylphenyl)benzene-1-sulfonamide
CID 20959085
4-[2-((R)-4,4-Dimethyl-pentyl)-oxazol-5-yl]-N-{4-[2-(2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide
CID 44285225
4-(2-Hexyl-oxazol-5-yl)-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide
CID 44285226
N-{(R)-4-[2-(2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-(2-pentyl-oxazol-5-yl)-benzenesulfonamide
CID 44285529
N-{(R)-4-[2-(2-Hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-4-(2-octyl-oxazol-5-yl)-benzenesulfonamide
CID 44285634

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-sulfonamide?
The IUPAC name of 3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-sulfonamide (CID 24830938) is 3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-sulfonamide.
What is the SMILES notation for 3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-sulfonamide?
The canonical SMILES for 3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-sulfonamide is Cc1ccc(-c2ncco2)cc1-c1ccc(NS(=O)(=O)c2ccncc2F)cc1.
What is the InChIKey of 3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-sulfonamide?
The InChIKey is FVGXBHIAJOHYQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16FN3O3S/c1-14-2-3-16(21-24-10-11-28-21)12-18(14)15-4-6-17(7-5-15)25-29(26,27)20-8-9-23-13-19(20)22/h2-13,25H,1H3.
What are the key properties of 3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-sulfonamide?
3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-sulfonamide has a molecular weight of 409.44 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]pyridine-4-sulfonamide is sourced from PubChem (CID 24830938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).