1-fluoro-2-methoxybenzene;4-[5-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide

C17H14F4N2O4S — CID 66622813

IUPAC1-fluoro-2-methoxybenzene;4-[5-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCOc1ccccc1F.NS(=O)(=O)c1ccc(-c2ncoc2C(F)(F)F)cc1
InChIInChI=1S/C10H7F3N2O3S.C7H7FO/c11-10(12,13)9-8(15-5-18-9)6-1-3-7(4-2-6)19(14,16)17;1-9-7-5-3-2-4-6(7)8/h1-5H,(H2,14,16,17);2-5H,1H3
InChIKeyOCSXALQZKAAATF-UHFFFAOYSA-N
MW418.37 g/mol
LogP3.84
Rot. Bonds3

About 1-fluoro-2-methoxybenzene;4-[5-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide

1-fluoro-2-methoxybenzene;4-[5-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide (PubChem CID 66622813) has the molecular formula C17H14F4N2O4S and a molecular weight of 418.37 g/mol. Its IUPAC name is 1-fluoro-2-methoxybenzene;4-[5-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name1-fluoro-2-methoxybenzene;4-[5-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide
PubChem CID66622813
Molecular FormulaC17H14F4N2O4S
Molecular Weight418.37 g/mol
Exact Mass418.06
IUPAC Name1-fluoro-2-methoxybenzene;4-[5-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide
SMILESCOc1ccccc1F.NS(=O)(=O)c1ccc(-c2ncoc2C(F)(F)F)cc1
InChIInChI=1S/C10H7F3N2O3S.C7H7FO/c11-10(12,13)9-8(15-5-18-9)6-1-3-7(4-2-6)19(14,16)17;1-9-7-5-3-2-4-6(7)8/h1-5H,(H2,14,16,17);2-5H,1H3
InChIKeyOCSXALQZKAAATF-UHFFFAOYSA-N
XLogP3.84
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.37
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[4-(4-Fluoro-phenyl)-2-methyl-oxazol-5-yl]-benzenesulfonamide
CID 10936484
2-Fluoro-4-[4-(4-fluoro-phenyl)-2-methyl-oxazol-5-yl]-benzenesulfonamide
CID 11068088
4-(2-Methyl-1,3-oxazol-4-YL)-N-[4-(trifluoromethoxy)phenyl]benzene-1-sulfonamide
CID 16031623
4-(4-Fluoro-phenyl)-5-(4-methanesulfonyl-phenyl)-oxazole
CID 17876325
5-(4-Fluoro-phenyl)-4-(4-methanesulfonyl-phenyl)-oxazole
CID 17876403
2-chloro4,5-bis(p-N,N-dimethylaminosulfonylphenyl)oxazole
CID 54526668
2-fluoro-4-methyl-N-[(5-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
CID 71853591
4-[5-(3,4-Difluorophenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide
CID 10111819
4-[5-(3-Fluoro-4-methoxyphenyl)-2-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide
CID 10273367
4-[2-(2,3,4,5,6-Pentafluorophenoxy)-4-phenyl-1,3-oxazol-5-yl]benzenesulfonamide
CID 15463768
4-[5-(4-Fluorophenyl)-1,3-oxazol-4-yl]benzenesulfonamide
CID 17876299
[5-(4-Fluorophenyl)-4-(4-sulfamoylphenyl)-1,3-oxazol-2-yl] propanoate
CID 17876515

Frequently Asked Questions

What is the IUPAC name of 1-fluoro-2-methoxybenzene;4-[5-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 1-fluoro-2-methoxybenzene;4-[5-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide (CID 66622813) is 1-fluoro-2-methoxybenzene;4-[5-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 1-fluoro-2-methoxybenzene;4-[5-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 1-fluoro-2-methoxybenzene;4-[5-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide is COc1ccccc1F.NS(=O)(=O)c1ccc(-c2ncoc2C(F)(F)F)cc1.
What is the InChIKey of 1-fluoro-2-methoxybenzene;4-[5-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide?
The InChIKey is OCSXALQZKAAATF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7F3N2O3S.C7H7FO/c11-10(12,13)9-8(15-5-18-9)6-1-3-7(4-2-6)19(14,16)17;1-9-7-5-3-2-4-6(7)8/h1-5H,(H2,14,16,17);2-5H,1H3.
What are the key properties of 1-fluoro-2-methoxybenzene;4-[5-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide?
1-fluoro-2-methoxybenzene;4-[5-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide has a molecular weight of 418.37 g/mol, XLogP of 3.84, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-fluoro-2-methoxybenzene;4-[5-(trifluoromethyl)-1,3-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 66622813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).