N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-fluorobenzenesulfonamide

C17H15FN2O5S — CID 110402703

IUPACN-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-fluorobenzenesulfonamide
SMILESCOc1ccc(-c2cnoc2NS(=O)(=O)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C17H15FN2O5S/c1-23-15-8-3-11(9-16(15)24-2)14-10-19-25-17(14)20-26(21,22)13-6-4-12(18)5-7-13/h3-10,20H,1-2H3
InChIKeyJVGPOAXBJCKGPE-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.30
Rot. Bonds6

About N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-fluorobenzenesulfonamide

N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-fluorobenzenesulfonamide (PubChem CID 110402703) has the molecular formula C17H15FN2O5S and a molecular weight of 378.38 g/mol. Its IUPAC name is N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-fluorobenzenesulfonamide
PubChem CID110402703
Molecular FormulaC17H15FN2O5S
Molecular Weight378.38 g/mol
Exact Mass378.07
IUPAC NameN-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-fluorobenzenesulfonamide
SMILESCOc1ccc(-c2cnoc2NS(=O)(=O)c2ccc(F)cc2)cc1OC
InChIInChI=1S/C17H15FN2O5S/c1-23-15-8-3-11(9-16(15)24-2)14-10-19-25-17(14)20-26(21,22)13-6-4-12(18)5-7-13/h3-10,20H,1-2H3
InChIKeyJVGPOAXBJCKGPE-UHFFFAOYSA-N
XLogP3.30
TPSA90.66 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-chloro-N-[4-(4-chlorophenyl)-1,2-oxazol-5-yl]-4-methoxybenzenesulfonamide
CID 110402595
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-4-methylbenzenesulfonamide
CID 110402439
4-fluoro-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-methylbenzenesulfonamide
CID 110402451
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-3,4-dimethoxybenzenesulfonamide
CID 2290578
5-chloro-2-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]benzenesulfonamide
CID 110402489
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110402478
4-methoxy-N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2,5-dimethylbenzenesulfonamide
CID 110402462
N-[4-(4-methoxyphenyl)-1,2-oxazol-5-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 110402482
4-fluoro-N-[4-methoxy-3-(4-methoxyphenyl)phenyl]benzenesulfonamide
CID 8519475
N-[2-(3,4-dimethoxyphenyl)-4,5-difluorophenyl]benzenesulfonamide
CID 23217148
N-[[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3,4-dimethoxybenzenesulfonamide
CID 110293562
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-2-(4-methylphenoxy)acetamide
CID 110402676

Frequently Asked Questions

What is the IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-fluorobenzenesulfonamide (CID 110402703) is N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-fluorobenzenesulfonamide is COc1ccc(-c2cnoc2NS(=O)(=O)c2ccc(F)cc2)cc1OC.
What is the InChIKey of N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-fluorobenzenesulfonamide?
The InChIKey is JVGPOAXBJCKGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15FN2O5S/c1-23-15-8-3-11(9-16(15)24-2)14-10-19-25-17(14)20-26(21,22)13-6-4-12(18)5-7-13/h3-10,20H,1-2H3.
What are the key properties of N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-fluorobenzenesulfonamide?
N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-fluorobenzenesulfonamide has a molecular weight of 378.38 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3,4-dimethoxyphenyl)-1,2-oxazol-5-yl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 110402703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).