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

C18H16F2N2O3S — CID 110415379

IUPAC4-fluoro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzenesulfonamide
SMILESCc1oc(-c2ccccc2F)nc1CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H16F2N2O3S/c1-12-17(22-18(25-12)15-4-2-3-5-16(15)20)10-11-21-26(23,24)14-8-6-13(19)7-9-14/h2-9,21H,10-11H2,1H3
InChIKeyNJLWSZWKFATRHB-UHFFFAOYSA-N
MW378.40 g/mol
LogP3.45
Rot. Bonds6

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

4-fluoro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzenesulfonamide (PubChem CID 110415379) has the molecular formula C18H16F2N2O3S and a molecular weight of 378.40 g/mol. Its IUPAC name is 4-fluoro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzenesulfonamide
PubChem CID110415379
Molecular FormulaC18H16F2N2O3S
Molecular Weight378.40 g/mol
Exact Mass378.08
IUPAC Name4-fluoro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzenesulfonamide
SMILESCc1oc(-c2ccccc2F)nc1CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H16F2N2O3S/c1-12-17(22-18(25-12)15-4-2-3-5-16(15)20)10-11-21-26(23,24)14-8-6-13(19)7-9-14/h2-9,21H,10-11H2,1H3
InChIKeyNJLWSZWKFATRHB-UHFFFAOYSA-N
XLogP3.45
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-4-methylbenzenesulfonamide
CID 110415378
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]propane-1-sulfonamide
CID 110641282
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]butane-1-sulfonamide
CID 110641283
4-methoxy-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110414959
4-fluoro-N-[2-[3-(2-fluorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110323465
N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-2-phenylacetamide
CID 110641249
N-[2-[2-(4-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]-1-(2-methylphenyl)methanesulfonamide
CID 110641168
4-fluoro-3-methyl-N-[2-(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110415497
N-[2-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-3,4-dimethylbenzenesulfonamide
CID 110321008
4-methyl-N-[[5-methyl-2-(2-methylphenyl)-1,3-oxazol-4-yl]methyl]benzenesulfonamide
CID 20955410
4-methoxy-3-methyl-N-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethyl]benzenesulfonamide
CID 110641056
3-chloro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzamide
CID 110641258

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzenesulfonamide (CID 110415379) is 4-fluoro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzenesulfonamide is Cc1oc(-c2ccccc2F)nc1CCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzenesulfonamide?
The InChIKey is NJLWSZWKFATRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N2O3S/c1-12-17(22-18(25-12)15-4-2-3-5-16(15)20)10-11-21-26(23,24)14-8-6-13(19)7-9-14/h2-9,21H,10-11H2,1H3.
What are the key properties of 4-fluoro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzenesulfonamide?
4-fluoro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzenesulfonamide has a molecular weight of 378.40 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[2-(2-fluorophenyl)-5-methyl-1,3-oxazol-4-yl]ethyl]benzenesulfonamide is sourced from PubChem (CID 110415379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).