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

C18H17FN2O4S — CID 67594851

IUPACN-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
SMILESCCc1onc(-c2ccc(OC)c(F)c2)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H17FN2O4S/c1-3-15-18(21-26(22,23)13-7-5-4-6-8-13)17(20-25-15)12-9-10-16(24-2)14(19)11-12/h4-11,21H,3H2,1-2H3
InChIKeyIXPGVSLDNQSZDU-UHFFFAOYSA-N
MW376.41 g/mol
LogP3.85
Rot. Bonds6

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

N-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide (PubChem CID 67594851) has the molecular formula C18H17FN2O4S and a molecular weight of 376.41 g/mol. Its IUPAC name is N-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
PubChem CID67594851
Molecular FormulaC18H17FN2O4S
Molecular Weight376.41 g/mol
Exact Mass376.09
IUPAC NameN-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
SMILESCCc1onc(-c2ccc(OC)c(F)c2)c1NS(=O)(=O)c1ccccc1
InChIInChI=1S/C18H17FN2O4S/c1-3-15-18(21-26(22,23)13-7-5-4-6-8-13)17(20-25-15)12-9-10-16(24-2)14(19)11-12/h4-11,21H,3H2,1-2H3
InChIKeyIXPGVSLDNQSZDU-UHFFFAOYSA-N
XLogP3.85
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.41
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 67594962
N-[4-(3-fluoro-4-methoxyphenyl)-1-(3-hydroxypropyl)pyrazol-3-yl]benzenesulfonamide
CID 23367300
N-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 23217148
N-[5-(difluoromethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide;N-[5-(hydroxymethyl)-3-phenyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 67636251
3-fluoro-4-methoxy-N-(2-phenylphenyl)benzenesulfonamide
CID 39825493
N-[5-cyano-1-(cyanomethyl)-4-(3-fluoro-4-methoxyphenyl)pyrazol-3-yl]benzenesulfonamide
CID 67645494
N-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 57275035
2-[3-ethyl-5-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide
CID 67594963
2-benzyl-4-(3-fluoro-4-methoxyphenyl)-5-(4-methylsulfonylphenyl)-1,3-oxazole
CID 18701771
4-[2-(3-fluoro-4-methoxyphenyl)phenyl]benzenesulfonamide
CID 10808251
1-ethyl-3-(3-fluoro-4-methoxyphenyl)-2-methylsulfonylbenzene
CID 174335580
N-[4,5-difluoro-2-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 67653567

Frequently Asked Questions

What is the IUPAC name of N-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide?
The IUPAC name of N-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide (CID 67594851) is N-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide.
What is the SMILES notation for N-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide?
The canonical SMILES for N-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide is CCc1onc(-c2ccc(OC)c(F)c2)c1NS(=O)(=O)c1ccccc1.
What is the InChIKey of N-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide?
The InChIKey is IXPGVSLDNQSZDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O4S/c1-3-15-18(21-26(22,23)13-7-5-4-6-8-13)17(20-25-15)12-9-10-16(24-2)14(19)11-12/h4-11,21H,3H2,1-2H3.
What are the key properties of N-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide?
N-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide has a molecular weight of 376.41 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-ethyl-3-(3-fluoro-4-methoxyphenyl)-1,2-oxazol-4-yl]benzenesulfonamide is sourced from PubChem (CID 67594851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).