2-fluoro-4-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide

C16H12F2N2O3S — CID 11068088

IUPAC2-fluoro-4-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)c(F)c2)o1
InChIInChI=1S/C16H12F2N2O3S/c1-9-20-15(10-2-5-12(17)6-3-10)16(23-9)11-4-7-14(13(18)8-11)24(19,21)22/h2-8H,1H3,(H2,19,21,22)
InChIKeyNKFUGHMWDKIDBC-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.24
Rot. Bonds3

About 2-fluoro-4-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide

2-fluoro-4-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide (PubChem CID 11068088) has the molecular formula C16H12F2N2O3S and a molecular weight of 350.35 g/mol. Its IUPAC name is 2-fluoro-4-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-4-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide
PubChem CID11068088
Molecular FormulaC16H12F2N2O3S
Molecular Weight350.35 g/mol
Exact Mass350.05
IUPAC Name2-fluoro-4-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide
SMILESCc1nc(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)c(F)c2)o1
InChIInChI=1S/C16H12F2N2O3S/c1-9-20-15(10-2-5-12(17)6-3-10)16(23-9)11-4-7-14(13(18)8-11)24(19,21)22/h2-8H,1H3,(H2,19,21,22)
InChIKeyNKFUGHMWDKIDBC-UHFFFAOYSA-N
XLogP3.24
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide?
The IUPAC name of 2-fluoro-4-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide (CID 11068088) is 2-fluoro-4-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-4-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-4-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide is Cc1nc(-c2ccc(F)cc2)c(-c2ccc(S(N)(=O)=O)c(F)c2)o1.
What is the InChIKey of 2-fluoro-4-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide?
The InChIKey is NKFUGHMWDKIDBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3S/c1-9-20-15(10-2-5-12(17)6-3-10)16(23-9)11-4-7-14(13(18)8-11)24(19,21)22/h2-8H,1H3,(H2,19,21,22).
What are the key properties of 2-fluoro-4-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide?
2-fluoro-4-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide has a molecular weight of 350.35 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[4-(4-fluorophenyl)-2-methyl-1,3-oxazol-5-yl]benzenesulfonamide is sourced from PubChem (CID 11068088), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).