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

C16H12F2N2O3S — CID 22583135

IUPACN-(3,4-difluorophenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cc2)co1
InChIInChI=1S/C16H12F2N2O3S/c1-10-19-16(9-23-10)11-2-5-13(6-3-11)24(21,22)20-12-4-7-14(17)15(18)8-12/h2-9,20H,1H3
InChIKeyUYNIUAUNIBIGCK-UHFFFAOYSA-N
MW350.35 g/mol
LogP3.73
Rot. Bonds4

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

N-(3,4-difluorophenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide (PubChem CID 22583135) has the molecular formula C16H12F2N2O3S and a molecular weight of 350.35 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
PubChem CID22583135
Molecular FormulaC16H12F2N2O3S
Molecular Weight350.35 g/mol
Exact Mass350.05
IUPAC NameN-(3,4-difluorophenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
SMILESCc1nc(-c2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cc2)co1
InChIInChI=1S/C16H12F2N2O3S/c1-10-19-16(9-23-10)11-2-5-13(6-3-11)24(21,22)20-12-4-7-14(17)15(18)8-12/h2-9,20H,1H3
InChIKeyUYNIUAUNIBIGCK-UHFFFAOYSA-N
XLogP3.73
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583132
N-[2-(dimethylamino)pyrimidin-5-yl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122298122
N-(3,4-difluorophenyl)-4-(3,5-dimethyl-1,2-oxazol-4-yl)benzenesulfonamide
CID 53054412
N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 122287454
N-(2-bromo-4-methylphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583105
4-chloro-N-(3,4-difluorophenyl)benzenesulfonamide
CID 5241140
N-(3,4-difluorophenyl)-3,4-difluorobenzenesulfonamide
CID 7788321
N-(3,4-difluorophenyl)-4-propan-2-ylbenzenesulfonamide
CID 4797328
N-(3,4-difluorophenyl)-3,4-dimethylbenzenesulfonamide
CID 22773464
N-(3-chloro-2-methylphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583093
4-amino-N-(3,4-difluorophenyl)benzenesulfonamide
CID 16790684
N-(5-chloro-2,4-dimethoxyphenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide
CID 22583055

Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide (CID 22583135) is N-(3,4-difluorophenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide is Cc1nc(-c2ccc(S(=O)(=O)Nc3ccc(F)c(F)c3)cc2)co1.
What is the InChIKey of N-(3,4-difluorophenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
The InChIKey is UYNIUAUNIBIGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O3S/c1-10-19-16(9-23-10)11-2-5-13(6-3-11)24(21,22)20-12-4-7-14(17)15(18)8-12/h2-9,20H,1H3.
What are the key properties of N-(3,4-difluorophenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide?
N-(3,4-difluorophenyl)-4-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide has a molecular weight of 350.35 g/mol, XLogP of 3.73, 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-(2-methyl-1,3-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 22583135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).