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

C15H11F3N2O4S2 — CID 53102847

IUPAC5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
SMILESCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)s2)o1
InChIInChI=1S/C15H11F3N2O4S2/c1-9-19-8-12(23-9)13-6-7-14(25-13)26(21,22)20-10-2-4-11(5-3-10)24-15(16,17)18/h2-8,20H,1H3
InChIKeyKLGASWBXFOCOEU-UHFFFAOYSA-N
MW404.39 g/mol
LogP4.41
Rot. Bonds5

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

5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide (PubChem CID 53102847) has the molecular formula C15H11F3N2O4S2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
PubChem CID53102847
Molecular FormulaC15H11F3N2O4S2
Molecular Weight404.39 g/mol
Exact Mass404.01
IUPAC Name5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
SMILESCc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)s2)o1
InChIInChI=1S/C15H11F3N2O4S2/c1-9-19-8-12(23-9)13-6-7-14(25-13)26(21,22)20-10-2-4-11(5-3-10)24-15(16,17)18/h2-8,20H,1H3
InChIKeyKLGASWBXFOCOEU-UHFFFAOYSA-N
XLogP4.41
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide (CID 53102847) is 5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide is Cc1ncc(-c2ccc(S(=O)(=O)Nc3ccc(OC(F)(F)F)cc3)s2)o1.
What is the InChIKey of 5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
The InChIKey is KLGASWBXFOCOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11F3N2O4S2/c1-9-19-8-12(23-9)13-6-7-14(25-13)26(21,22)20-10-2-4-11(5-3-10)24-15(16,17)18/h2-8,20H,1H3.
What are the key properties of 5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide has a molecular weight of 404.39 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53102847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).