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

C17H14F2N2O3S — CID 53054412

IUPACN-(3,4-difluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESCc1noc(C)c1-c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H14F2N2O3S/c1-10-17(11(2)24-20-10)12-3-6-14(7-4-12)25(22,23)21-13-5-8-15(18)16(19)9-13/h3-9,21H,1-2H3
InChIKeyLHOCMWXUWKFTEN-UHFFFAOYSA-N
MW364.37 g/mol
LogP4.04
Rot. Bonds4

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

N-(3,4-difluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide (PubChem CID 53054412) has the molecular formula C17H14F2N2O3S and a molecular weight of 364.37 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide
PubChem CID53054412
Molecular FormulaC17H14F2N2O3S
Molecular Weight364.37 g/mol
Exact Mass364.07
IUPAC NameN-(3,4-difluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESCc1noc(C)c1-c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1
InChIInChI=1S/C17H14F2N2O3S/c1-10-17(11(2)24-20-10)12-3-6-14(7-4-12)25(22,23)21-13-5-8-15(18)16(19)9-13/h3-9,21H,1-2H3
InChIKeyLHOCMWXUWKFTEN-UHFFFAOYSA-N
XLogP4.04
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methylphenyl)benzenesulfonamide
CID 53054425
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 53054335
4-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(4-fluoro-2-methylphenyl)benzenesulfonamide
CID 53054416
4-(3,4-difluorophenyl)-3,5-dimethyl-1,2-oxazole
CID 90732795
N-[4-(3,5-dimethyl-1,2-oxazol-4-yl)phenyl]-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 110669909
N-(3,4-difluorophenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583135
N-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-2-methylphenyl]-4-methylbenzenesulfonamide
CID 165343462
5-(3,5-dimethyl-1,2-oxazol-4-yl)-N-(3,4-dimethylphenyl)-2-methylbenzenesulfonamide
CID 53054290
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
4-amino-N-(3,4-difluorophenyl)benzenesulfonamide
CID 16790684

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide (CID 53054412) is N-(3,4-difluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide is Cc1noc(C)c1-c1ccc(S(=O)(=O)Nc2ccc(F)c(F)c2)cc1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide?
The InChIKey is LHOCMWXUWKFTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14F2N2O3S/c1-10-17(11(2)24-20-10)12-3-6-14(7-4-12)25(22,23)21-13-5-8-15(18)16(19)9-13/h3-9,21H,1-2H3.
What are the key properties of N-(3,4-difluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide?
N-(3,4-difluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide has a molecular weight of 364.37 g/mol, XLogP of 4.04, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 53054412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).