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

C11H11FN2O3S — CID 10265127

IUPACN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-fluorobenzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccc(F)cc2)c1C
InChIInChI=1S/C11H11FN2O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,1-2H3
InChIKeyLTIZWYZGXKZSHV-UHFFFAOYSA-N
MW270.28 g/mol
LogP2.23
Rot. Bonds3

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

N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-fluorobenzenesulfonamide (PubChem CID 10265127) has the molecular formula C11H11FN2O3S and a molecular weight of 270.28 g/mol. Its IUPAC name is N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-fluorobenzenesulfonamide
PubChem CID10265127
Molecular FormulaC11H11FN2O3S
Molecular Weight270.28 g/mol
Exact Mass270.05
IUPAC NameN-(3,4-dimethyl-1,2-oxazol-5-yl)-4-fluorobenzenesulfonamide
SMILESCc1noc(NS(=O)(=O)c2ccc(F)cc2)c1C
InChIInChI=1S/C11H11FN2O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,1-2H3
InChIKeyLTIZWYZGXKZSHV-UHFFFAOYSA-N
XLogP2.23
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.28
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-fluorobenzenesulfonamide (CID 10265127) is N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-fluorobenzenesulfonamide is Cc1noc(NS(=O)(=O)c2ccc(F)cc2)c1C.
What is the InChIKey of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-fluorobenzenesulfonamide?
The InChIKey is LTIZWYZGXKZSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O3S/c1-7-8(2)13-17-11(7)14-18(15,16)10-5-3-9(12)4-6-10/h3-6,14H,1-2H3.
What are the key properties of N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-fluorobenzenesulfonamide?
N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-fluorobenzenesulfonamide has a molecular weight of 270.28 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethyl-1,2-oxazol-5-yl)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 10265127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).