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

C19H19FN2O4S — CID 110314845

IUPAC4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-methylbenzenesulfonamide
SMILESCOc1cccc(-c2cc(CCNS(=O)(=O)c3ccc(F)cc3C)no2)c1
InChIInChI=1S/C19H19FN2O4S/c1-13-10-15(20)6-7-19(13)27(23,24)21-9-8-16-12-18(26-22-16)14-4-3-5-17(11-14)25-2/h3-7,10-12,21H,8-9H2,1-2H3
InChIKeyIBSZLJFJSDDGMH-UHFFFAOYSA-N
MW390.44 g/mol
LogP3.32
Rot. Bonds7

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

4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-methylbenzenesulfonamide (PubChem CID 110314845) has the molecular formula C19H19FN2O4S and a molecular weight of 390.44 g/mol. Its IUPAC name is 4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-methylbenzenesulfonamide
PubChem CID110314845
Molecular FormulaC19H19FN2O4S
Molecular Weight390.44 g/mol
Exact Mass390.10
IUPAC Name4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-methylbenzenesulfonamide
SMILESCOc1cccc(-c2cc(CCNS(=O)(=O)c3ccc(F)cc3C)no2)c1
InChIInChI=1S/C19H19FN2O4S/c1-13-10-15(20)6-7-19(13)27(23,24)21-9-8-16-12-18(26-22-16)14-4-3-5-17(11-14)25-2/h3-7,10-12,21H,8-9H2,1-2H3
InChIKeyIBSZLJFJSDDGMH-UHFFFAOYSA-N
XLogP3.32
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-1-phenylmethanesulfonamide
CID 110314851
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]butane-1-sulfonamide
CID 110314836
4-fluoro-2-methyl-N-[2-(2-pyridin-3-yl-1,3-thiazol-4-yl)ethyl]benzenesulfonamide
CID 110285025
2-methoxy-5-methyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide
CID 110314695
ethyl 2-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethylamino]-2-oxoacetate
CID 110314824
N-[2-(2,5-difluorophenyl)ethyl]-4-methoxy-2-methylbenzenesulfonamide
CID 110788206
[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]methanesulfonyl chloride
CID 165481100
4-methoxy-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]benzamide
CID 110314795
4-fluoro-3-methyl-N-[2-(5-phenyl-1,2-oxazol-3-yl)ethyl]benzenesulfonamide
CID 110314691
N-[2-(3,5-dimethyl-1,2-oxazol-4-yl)ethyl]-4-fluoro-2-methylbenzenesulfonamide
CID 110646326
N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-3-methylbenzamide
CID 110314788
4-fluoro-N-[2-[3-(3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethyl]benzenesulfonamide
CID 110324188

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-methylbenzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-methylbenzenesulfonamide (CID 110314845) is 4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-methylbenzenesulfonamide is COc1cccc(-c2cc(CCNS(=O)(=O)c3ccc(F)cc3C)no2)c1.
What is the InChIKey of 4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-methylbenzenesulfonamide?
The InChIKey is IBSZLJFJSDDGMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN2O4S/c1-13-10-15(20)6-7-19(13)27(23,24)21-9-8-16-12-18(26-22-16)14-4-3-5-17(11-14)25-2/h3-7,10-12,21H,8-9H2,1-2H3.
What are the key properties of 4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-methylbenzenesulfonamide?
4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-methylbenzenesulfonamide has a molecular weight of 390.44 g/mol, XLogP of 3.32, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-[5-(3-methoxyphenyl)-1,2-oxazol-3-yl]ethyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 110314845), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).