N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzenesulfonamide

C12H13FN2O3S — CID 110714857

IUPACN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzenesulfonamide
SMILESCc1nc(C)c(CNS(=O)(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C12H13FN2O3S/c1-8-12(18-9(2)15-8)7-14-19(16,17)11-5-3-10(13)4-6-11/h3-6,14H,7H2,1-2H3
InChIKeyPJKONHBEMXSBLD-UHFFFAOYSA-N
MW284.31 g/mol
LogP1.91
Rot. Bonds4

About N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzenesulfonamide

N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzenesulfonamide (PubChem CID 110714857) has the molecular formula C12H13FN2O3S and a molecular weight of 284.31 g/mol. Its IUPAC name is N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzenesulfonamide
PubChem CID110714857
Molecular FormulaC12H13FN2O3S
Molecular Weight284.31 g/mol
Exact Mass284.06
IUPAC NameN-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzenesulfonamide
SMILESCc1nc(C)c(CNS(=O)(=O)c2ccc(F)cc2)o1
InChIInChI=1S/C12H13FN2O3S/c1-8-12(18-9(2)15-8)7-14-19(16,17)11-5-3-10(13)4-6-11/h3-6,14H,7H2,1-2H3
InChIKeyPJKONHBEMXSBLD-UHFFFAOYSA-N
XLogP1.91
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.31
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzenesulfonamide?
The IUPAC name of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzenesulfonamide (CID 110714857) is N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzenesulfonamide is Cc1nc(C)c(CNS(=O)(=O)c2ccc(F)cc2)o1.
What is the InChIKey of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzenesulfonamide?
The InChIKey is PJKONHBEMXSBLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O3S/c1-8-12(18-9(2)15-8)7-14-19(16,17)11-5-3-10(13)4-6-11/h3-6,14H,7H2,1-2H3.
What are the key properties of N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzenesulfonamide?
N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzenesulfonamide has a molecular weight of 284.31 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,4-dimethyl-1,3-oxazol-5-yl)methyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 110714857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).