2,6-difluoro-4-(5-methyl-3-pyridin-3-yl-1,2-oxazol-4-yl)benzenesulfonamide

C15H11F2N3O3S — CID 22745611

IUPAC2,6-difluoro-4-(5-methyl-3-pyridin-3-yl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESCc1onc(-c2cccnc2)c1-c1cc(F)c(S(N)(=O)=O)c(F)c1
InChIInChI=1S/C15H11F2N3O3S/c1-8-13(14(20-23-8)9-3-2-4-19-7-9)10-5-11(16)15(12(17)6-10)24(18,21)22/h2-7H,1H3,(H2,18,21,22)
InChIKeyQMIHUKFUOFJMLP-UHFFFAOYSA-N
MW351.33 g/mol
LogP2.64
Rot. Bonds3

About 2,6-difluoro-4-(5-methyl-3-pyridin-3-yl-1,2-oxazol-4-yl)benzenesulfonamide

2,6-difluoro-4-(5-methyl-3-pyridin-3-yl-1,2-oxazol-4-yl)benzenesulfonamide (PubChem CID 22745611) has the molecular formula C15H11F2N3O3S and a molecular weight of 351.33 g/mol. Its IUPAC name is 2,6-difluoro-4-(5-methyl-3-pyridin-3-yl-1,2-oxazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-4-(5-methyl-3-pyridin-3-yl-1,2-oxazol-4-yl)benzenesulfonamide
PubChem CID22745611
Molecular FormulaC15H11F2N3O3S
Molecular Weight351.33 g/mol
Exact Mass351.05
IUPAC Name2,6-difluoro-4-(5-methyl-3-pyridin-3-yl-1,2-oxazol-4-yl)benzenesulfonamide
SMILESCc1onc(-c2cccnc2)c1-c1cc(F)c(S(N)(=O)=O)c(F)c1
InChIInChI=1S/C15H11F2N3O3S/c1-8-13(14(20-23-8)9-3-2-4-19-7-9)10-5-11(16)15(12(17)6-10)24(18,21)22/h2-7H,1H3,(H2,18,21,22)
InChIKeyQMIHUKFUOFJMLP-UHFFFAOYSA-N
XLogP2.64
TPSA99.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.33
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-(5-methyl-3-pyridin-3-yl-1,2-oxazol-4-yl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-4-(5-methyl-3-pyridin-3-yl-1,2-oxazol-4-yl)benzenesulfonamide (CID 22745611) is 2,6-difluoro-4-(5-methyl-3-pyridin-3-yl-1,2-oxazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-4-(5-methyl-3-pyridin-3-yl-1,2-oxazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-4-(5-methyl-3-pyridin-3-yl-1,2-oxazol-4-yl)benzenesulfonamide is Cc1onc(-c2cccnc2)c1-c1cc(F)c(S(N)(=O)=O)c(F)c1.
What is the InChIKey of 2,6-difluoro-4-(5-methyl-3-pyridin-3-yl-1,2-oxazol-4-yl)benzenesulfonamide?
The InChIKey is QMIHUKFUOFJMLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F2N3O3S/c1-8-13(14(20-23-8)9-3-2-4-19-7-9)10-5-11(16)15(12(17)6-10)24(18,21)22/h2-7H,1H3,(H2,18,21,22).
What are the key properties of 2,6-difluoro-4-(5-methyl-3-pyridin-3-yl-1,2-oxazol-4-yl)benzenesulfonamide?
2,6-difluoro-4-(5-methyl-3-pyridin-3-yl-1,2-oxazol-4-yl)benzenesulfonamide has a molecular weight of 351.33 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-(5-methyl-3-pyridin-3-yl-1,2-oxazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 22745611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).