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

C16H12F3N3O4S2 — CID 53068184

IUPAC5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnc(C3CC3)o2)s1
InChIInChI=1S/C16H12F3N3O4S2/c17-16(18,19)26-11-5-3-10(4-6-11)22-28(23,24)13-8-7-12(27-13)15-21-20-14(25-15)9-1-2-9/h3-9,22H,1-2H2
InChIKeyAODHOEQHJOIWLI-UHFFFAOYSA-N
MW431.42 g/mol
LogP4.37
Rot. Bonds6

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

5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide (PubChem CID 53068184) has the molecular formula C16H12F3N3O4S2 and a molecular weight of 431.42 g/mol. Its IUPAC name is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
PubChem CID53068184
Molecular FormulaC16H12F3N3O4S2
Molecular Weight431.42 g/mol
Exact Mass431.02
IUPAC Name5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnc(C3CC3)o2)s1
InChIInChI=1S/C16H12F3N3O4S2/c17-16(18,19)26-11-5-3-10(4-6-11)22-28(23,24)13-8-7-12(27-13)15-21-20-14(25-15)9-1-2-9/h3-9,22H,1-2H2
InChIKeyAODHOEQHJOIWLI-UHFFFAOYSA-N
XLogP4.37
TPSA94.32 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.42
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 53103050
N-(3-chloro-4-fluorophenyl)-5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53068175
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-(3-methoxyphenyl)thiophene-2-sulfonamide
CID 53068113
5-(2-cyclopropyl-1,3-oxazol-5-yl)-N-(4-ethoxyphenyl)thiophene-2-sulfonamide
CID 53102898
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]thiophene-2-sulfonamide
CID 95068298
N-(2-chloro-4-methylphenyl)-5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)thiophene-2-sulfonamide
CID 53068247
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(2-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53068164
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53068205
4-(5-cyclobutyl-1,2,4-oxadiazol-3-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide
CID 53104805
5-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-[(3-methoxyphenyl)methyl]thiophene-2-sulfonamide
CID 53068255
5-(2-cyclobutyl-1,3-oxazol-5-yl)-N-(4-fluorophenyl)thiophene-2-sulfonamide
CID 53102984
2,4,5-trichloro-N-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 22203302

Frequently Asked Questions

What is the IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
The IUPAC name of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide (CID 53068184) is 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(OC(F)(F)F)cc1)c1ccc(-c2nnc(C3CC3)o2)s1.
What is the InChIKey of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
The InChIKey is AODHOEQHJOIWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F3N3O4S2/c17-16(18,19)26-11-5-3-10(4-6-11)22-28(23,24)13-8-7-12(27-13)15-21-20-14(25-15)9-1-2-9/h3-9,22H,1-2H2.
What are the key properties of 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide?
5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide has a molecular weight of 431.42 g/mol, XLogP of 4.37, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-[4-(trifluoromethoxy)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 53068184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).