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

C17H13F3N2O4S2 — CID 53102943

IUPAC5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2cnc(C3CC3)o2)s1
InChIInChI=1S/C17H13F3N2O4S2/c18-17(19,20)26-12-5-3-11(4-6-12)22-28(23,24)15-8-7-14(27-15)13-9-21-16(25-13)10-1-2-10/h3-10,22H,1-2H2
InChIKeyXEGJTGXXFGCPAW-UHFFFAOYSA-N
MW430.43 g/mol
LogP4.98
Rot. Bonds6

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

5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide (PubChem CID 53102943) has the molecular formula C17H13F3N2O4S2 and a molecular weight of 430.43 g/mol. Its IUPAC name is 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
PubChem CID53102943
Molecular FormulaC17H13F3N2O4S2
Molecular Weight430.43 g/mol
Exact Mass430.03
IUPAC Name5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2cnc(C3CC3)o2)s1
InChIInChI=1S/C17H13F3N2O4S2/c18-17(19,20)26-12-5-3-11(4-6-12)22-28(23,24)15-8-7-14(27-15)13-9-21-16(25-13)10-1-2-10/h3-10,22H,1-2H2
InChIKeyXEGJTGXXFGCPAW-UHFFFAOYSA-N
XLogP4.98
TPSA81.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.43
LogP ≤ 54.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide (CID 53102943) is 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2cnc(C3CC3)o2)s1.
What is the InChIKey of 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
The InChIKey is XEGJTGXXFGCPAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O4S2/c18-17(19,20)26-12-5-3-11(4-6-12)22-28(23,24)15-8-7-14(27-15)13-9-21-16(25-13)10-1-2-10/h3-10,22H,1-2H2.
What are the key properties of 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide has a molecular weight of 430.43 g/mol, XLogP of 4.98, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53102943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).