2,6-difluoro-4-[3-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]benzenesulfonamide

C14H8F5N3O3S2 — CID 22745833

IUPAC2,6-difluoro-4-[3-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]benzenesulfonamide
SMILESCc1csc(-c2noc(C(F)(F)F)c2-c2cc(F)c(S(N)(=O)=O)c(F)c2)n1
InChIInChI=1S/C14H8F5N3O3S2/c1-5-4-26-13(21-5)10-9(12(25-22-10)14(17,18)19)6-2-7(15)11(8(16)3-6)27(20,23)24/h2-4H,1H3,(H2,20,23,24)
InChIKeyMFTNQVNDTBANFB-UHFFFAOYSA-N
MW425.36 g/mol
LogP3.72
Rot. Bonds3

About 2,6-difluoro-4-[3-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]benzenesulfonamide

2,6-difluoro-4-[3-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]benzenesulfonamide (PubChem CID 22745833) has the molecular formula C14H8F5N3O3S2 and a molecular weight of 425.36 g/mol. Its IUPAC name is 2,6-difluoro-4-[3-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-4-[3-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]benzenesulfonamide
PubChem CID22745833
Molecular FormulaC14H8F5N3O3S2
Molecular Weight425.36 g/mol
Exact Mass424.99
IUPAC Name2,6-difluoro-4-[3-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]benzenesulfonamide
SMILESCc1csc(-c2noc(C(F)(F)F)c2-c2cc(F)c(S(N)(=O)=O)c(F)c2)n1
InChIInChI=1S/C14H8F5N3O3S2/c1-5-4-26-13(21-5)10-9(12(25-22-10)14(17,18)19)6-2-7(15)11(8(16)3-6)27(20,23)24/h2-4H,1H3,(H2,20,23,24)
InChIKeyMFTNQVNDTBANFB-UHFFFAOYSA-N
XLogP3.72
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.36
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[3-(4-cyanophenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
CID 22745482
5-(difluoromethyl)-4-(3,5-difluoro-4-methylsulfonylphenyl)-3-(4-methyl-1,3-thiazol-2-yl)-1,2-oxazole
CID 22746035
4-[3-(3-chloro-4-methoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
CID 22746185
4-[3-(4-chloro-3-methoxyphenyl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
CID 22746179
2,6-difluoro-4-[2-(4-methyl-1,3-thiazol-2-yl)cyclopenten-1-yl]benzenesulfonamide
CID 22746424
4-[5-(difluoromethyl)-3-[3-methyl-4-(trifluoromethyl)phenyl]-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
CID 22746022
4-[5-(difluoromethyl)-3-(6-methyl-2-pyridinyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
CID 22745916
4-[3-(4-chloro-3-methylphenyl)-5-methyl-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
CID 22745952
4-[3-(4-bromo-3-methylphenyl)-5-(hydroxymethyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
CID 22745636
2,6-difluoro-4-[4-(4-methyl-1,3-thiazol-2-yl)-3-sulfanylidenecyclohexa-1,5-dien-1-yl]benzenesulfonamide
CID 22746398
4-[3-(3-cyano-4-methylphenyl)-5-(fluoromethyl)-1,2-oxazol-4-yl]-2,6-difluorobenzenesulfonamide
CID 22746927
2-(3-bromo-4-fluorophenyl)-4-methyl-1,3-thiazole
CID 82488398

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[3-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-4-[3-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]benzenesulfonamide (CID 22745833) is 2,6-difluoro-4-[3-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-4-[3-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-4-[3-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]benzenesulfonamide is Cc1csc(-c2noc(C(F)(F)F)c2-c2cc(F)c(S(N)(=O)=O)c(F)c2)n1.
What is the InChIKey of 2,6-difluoro-4-[3-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]benzenesulfonamide?
The InChIKey is MFTNQVNDTBANFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F5N3O3S2/c1-5-4-26-13(21-5)10-9(12(25-22-10)14(17,18)19)6-2-7(15)11(8(16)3-6)27(20,23)24/h2-4H,1H3,(H2,20,23,24).
What are the key properties of 2,6-difluoro-4-[3-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]benzenesulfonamide?
2,6-difluoro-4-[3-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]benzenesulfonamide has a molecular weight of 425.36 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[3-(4-methyl-1,3-thiazol-2-yl)-5-(trifluoromethyl)-1,2-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 22745833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).