2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzenesulfonamide

C22H16F2N2O3S — CID 24830786

IUPAC2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzenesulfonamide
SMILESCc1ccc(-c2ncco2)cc1-c1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C22H16F2N2O3S/c1-14-5-6-16(22-25-11-12-29-22)13-18(14)15-7-9-17(10-8-15)26-30(27,28)21-19(23)3-2-4-20(21)24/h2-13,26H,1H3
InChIKeyWVYOFKXIHSMFOS-UHFFFAOYSA-N
MW426.44 g/mol
LogP5.40
Rot. Bonds5

About 2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzenesulfonamide

2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzenesulfonamide (PubChem CID 24830786) has the molecular formula C22H16F2N2O3S and a molecular weight of 426.44 g/mol. Its IUPAC name is 2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzenesulfonamide
PubChem CID24830786
Molecular FormulaC22H16F2N2O3S
Molecular Weight426.44 g/mol
Exact Mass426.08
IUPAC Name2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzenesulfonamide
SMILESCc1ccc(-c2ncco2)cc1-c1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1
InChIInChI=1S/C22H16F2N2O3S/c1-14-5-6-16(22-25-11-12-29-22)13-18(14)15-7-9-17(10-8-15)26-30(27,28)21-19(23)3-2-4-20(21)24/h2-13,26H,1H3
InChIKeyWVYOFKXIHSMFOS-UHFFFAOYSA-N
XLogP5.40
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500426.44
LogP ≤ 55.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzenesulfonamide (CID 24830786) is 2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzenesulfonamide is Cc1ccc(-c2ncco2)cc1-c1ccc(NS(=O)(=O)c2c(F)cccc2F)cc1.
What is the InChIKey of 2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzenesulfonamide?
The InChIKey is WVYOFKXIHSMFOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O3S/c1-14-5-6-16(22-25-11-12-29-22)13-18(14)15-7-9-17(10-8-15)26-30(27,28)21-19(23)3-2-4-20(21)24/h2-13,26H,1H3.
What are the key properties of 2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzenesulfonamide?
2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzenesulfonamide has a molecular weight of 426.44 g/mol, XLogP of 5.40, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-[4-[2-methyl-5-(1,3-oxazol-2-yl)phenyl]phenyl]benzenesulfonamide is sourced from PubChem (CID 24830786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).