N-[2-(4-methoxy-1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide

C17H13F3N2O4S — CID 90707974

IUPACN-[2-(4-methoxy-1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1coc(-c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H13F3N2O4S/c1-25-15-10-26-16(21-15)13-7-2-3-8-14(13)22-27(23,24)12-6-4-5-11(9-12)17(18,19)20/h2-10,22H,1H3
InChIKeyHVLLOSJAEZBILT-UHFFFAOYSA-N
MW398.36 g/mol
LogP4.17
Rot. Bonds5

About N-[2-(4-methoxy-1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide

N-[2-(4-methoxy-1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide (PubChem CID 90707974) has the molecular formula C17H13F3N2O4S and a molecular weight of 398.36 g/mol. Its IUPAC name is N-[2-(4-methoxy-1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methoxy-1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
PubChem CID90707974
Molecular FormulaC17H13F3N2O4S
Molecular Weight398.36 g/mol
Exact Mass398.05
IUPAC NameN-[2-(4-methoxy-1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide
SMILESCOc1coc(-c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)n1
InChIInChI=1S/C17H13F3N2O4S/c1-25-15-10-26-16(21-15)13-7-2-3-8-14(13)22-27(23,24)12-6-4-5-11(9-12)17(18,19)20/h2-10,22H,1H3
InChIKeyHVLLOSJAEZBILT-UHFFFAOYSA-N
XLogP4.17
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.36
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methoxy-1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[2-(4-methoxy-1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide (CID 90707974) is N-[2-(4-methoxy-1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[2-(4-methoxy-1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[2-(4-methoxy-1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide is COc1coc(-c2ccccc2NS(=O)(=O)c2cccc(C(F)(F)F)c2)n1.
What is the InChIKey of N-[2-(4-methoxy-1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HVLLOSJAEZBILT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O4S/c1-25-15-10-26-16(21-15)13-7-2-3-8-14(13)22-27(23,24)12-6-4-5-11(9-12)17(18,19)20/h2-10,22H,1H3.
What are the key properties of N-[2-(4-methoxy-1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide?
N-[2-(4-methoxy-1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide has a molecular weight of 398.36 g/mol, XLogP of 4.17, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methoxy-1,3-oxazol-2-yl)phenyl]-3-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 90707974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).