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

C17H13F3N2O4S — CID 46345285

IUPAC4-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)o1
InChIInChI=1S/C17H13F3N2O4S/c1-11-21-10-16(25-11)12-2-8-15(9-3-12)27(23,24)22-13-4-6-14(7-5-13)26-17(18,19)20/h2-10,22H,1H3
InChIKeyYOZHXNVJTGMBRN-UHFFFAOYSA-N
MW398.36 g/mol
LogP4.35
Rot. Bonds5

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

4-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide (PubChem CID 46345285) has the molecular formula C17H13F3N2O4S and a molecular weight of 398.36 g/mol. Its IUPAC name is 4-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
PubChem CID46345285
Molecular FormulaC17H13F3N2O4S
Molecular Weight398.36 g/mol
Exact Mass398.05
IUPAC Name4-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
SMILESCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)o1
InChIInChI=1S/C17H13F3N2O4S/c1-11-21-10-16(25-11)12-2-8-15(9-3-12)27(23,24)22-13-4-6-14(7-5-13)26-17(18,19)20/h2-10,22H,1H3
InChIKeyYOZHXNVJTGMBRN-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 4-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide (CID 46345285) is 4-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide is Cc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)cc2)o1.
What is the InChIKey of 4-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide?
The InChIKey is YOZHXNVJTGMBRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O4S/c1-11-21-10-16(25-11)12-2-8-15(9-3-12)27(23,24)22-13-4-6-14(7-5-13)26-17(18,19)20/h2-10,22H,1H3.
What are the key properties of 4-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide?
4-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide has a molecular weight of 398.36 g/mol, XLogP of 4.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 46345285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).