4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-2-methylphenyl)benzenesulfonamide

C18H17FN2O3S — CID 53054416

IUPAC4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1ccc(-c2c(C)noc2C)cc1
InChIInChI=1S/C18H17FN2O3S/c1-11-10-15(19)6-9-17(11)21-25(22,23)16-7-4-14(5-8-16)18-12(2)20-24-13(18)3/h4-10,21H,1-3H3
InChIKeyDMRSEEVXWDYDDX-UHFFFAOYSA-N
MW360.41 g/mol
LogP4.21
Rot. Bonds4

About 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-2-methylphenyl)benzenesulfonamide

4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-2-methylphenyl)benzenesulfonamide (PubChem CID 53054416) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
PubChem CID53054416
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
SMILESCc1cc(F)ccc1NS(=O)(=O)c1ccc(-c2c(C)noc2C)cc1
InChIInChI=1S/C18H17FN2O3S/c1-11-10-15(19)6-9-17(11)21-25(22,23)16-7-4-14(5-8-16)18-12(2)20-24-13(18)3/h4-10,21H,1-3H3
InChIKeyDMRSEEVXWDYDDX-UHFFFAOYSA-N
XLogP4.21
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 54.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide
CID 165343462
N-(3,4-difluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 53054412
N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 6470682
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)benzenesulfonamide
CID 53054425
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-fluoro-2-methylphenyl)furan-2-sulfonamide
CID 53085917
5-(3,4-dimethyl-1,2-oxazol-5-yl)-N-(4-fluoro-2-methylphenyl)-2-methylbenzenesulfonamide
CID 20935537
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 53054335
N-(4-fluoro-2-methylphenyl)-4-hydrazinylbenzenesulfonamide
CID 43455060
3-chloro-N-(4-fluoro-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5003390
4-N,4-N-diethyl-1-N-(4-fluoro-2-methylphenyl)benzene-1,4-disulfonamide
CID 2681633
N-(4-amino-2-methylphenyl)-4-fluorobenzenesulfonamide
CID 16774316
4-bromo-3-fluoro-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 97161961

Frequently Asked Questions

What is the IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-2-methylphenyl)benzenesulfonamide?
The IUPAC name of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-2-methylphenyl)benzenesulfonamide (CID 53054416) is 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-2-methylphenyl)benzenesulfonamide is Cc1cc(F)ccc1NS(=O)(=O)c1ccc(-c2c(C)noc2C)cc1.
What is the InChIKey of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-2-methylphenyl)benzenesulfonamide?
The InChIKey is DMRSEEVXWDYDDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-11-10-15(19)6-9-17(11)21-25(22,23)16-7-4-14(5-8-16)18-12(2)20-24-13(18)3/h4-10,21H,1-3H3.
What are the key properties of 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-2-methylphenyl)benzenesulfonamide?
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-2-methylphenyl)benzenesulfonamide has a molecular weight of 360.41 g/mol, XLogP of 4.21, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 53054416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).