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

C18H17FN2O3S — CID 18149908

IUPAC4-fluoro-N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCc1oc(-c2ccccc2)nc1CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O3S/c1-13-17(20-18(24-13)14-6-4-3-5-7-14)12-21(2)25(22,23)16-10-8-15(19)9-11-16/h3-11H,12H2,1-2H3
InChIKeyUZYFWMMGWJMWHK-UHFFFAOYSA-N
MW360.41 g/mol
LogP3.61
Rot. Bonds5

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

4-fluoro-N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide (PubChem CID 18149908) has the molecular formula C18H17FN2O3S and a molecular weight of 360.41 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
PubChem CID18149908
Molecular FormulaC18H17FN2O3S
Molecular Weight360.41 g/mol
Exact Mass360.09
IUPAC Name4-fluoro-N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide
SMILESCc1oc(-c2ccccc2)nc1CN(C)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C18H17FN2O3S/c1-13-17(20-18(24-13)14-6-4-3-5-7-14)12-21(2)25(22,23)16-10-8-15(19)9-11-16/h3-11H,12H2,1-2H3
InChIKeyUZYFWMMGWJMWHK-UHFFFAOYSA-N
XLogP3.61
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.41
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide (CID 18149908) is 4-fluoro-N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide is Cc1oc(-c2ccccc2)nc1CN(C)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
The InChIKey is UZYFWMMGWJMWHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN2O3S/c1-13-17(20-18(24-13)14-6-4-3-5-7-14)12-21(2)25(22,23)16-10-8-15(19)9-11-16/h3-11H,12H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide?
4-fluoro-N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide has a molecular weight of 360.41 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methyl]benzenesulfonamide is sourced from PubChem (CID 18149908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).