5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]thiophene-2-sulfonamide

C12H10F3NO3S3 — CID 132819872

IUPAC5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(SCc2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C12H10F3NO3S3/c13-12(14,15)19-9-3-1-8(2-4-9)7-20-10-5-6-11(21-10)22(16,17)18/h1-6H,7H2,(H2,16,17,18)
InChIKeyCIIKRYKPTGLWFM-UHFFFAOYSA-N
MW369.41 g/mol
LogP3.59
Rot. Bonds5

About 5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]thiophene-2-sulfonamide

5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]thiophene-2-sulfonamide (PubChem CID 132819872) has the molecular formula C12H10F3NO3S3 and a molecular weight of 369.41 g/mol. Its IUPAC name is 5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]thiophene-2-sulfonamide.

Molecular Properties

Compound Name5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]thiophene-2-sulfonamide
PubChem CID132819872
Molecular FormulaC12H10F3NO3S3
Molecular Weight369.41 g/mol
Exact Mass368.98
IUPAC Name5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]thiophene-2-sulfonamide
SMILESNS(=O)(=O)c1ccc(SCc2ccc(OC(F)(F)F)cc2)s1
InChIInChI=1S/C12H10F3NO3S3/c13-12(14,15)19-9-3-1-8(2-4-9)7-20-10-5-6-11(21-10)22(16,17)18/h1-6H,7H2,(H2,16,17,18)
InChIKeyCIIKRYKPTGLWFM-UHFFFAOYSA-N
XLogP3.59
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.41
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]thiophene-2-sulfonamide?
The IUPAC name of 5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]thiophene-2-sulfonamide (CID 132819872) is 5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]thiophene-2-sulfonamide.
What is the SMILES notation for 5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]thiophene-2-sulfonamide?
The canonical SMILES for 5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]thiophene-2-sulfonamide is NS(=O)(=O)c1ccc(SCc2ccc(OC(F)(F)F)cc2)s1.
What is the InChIKey of 5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]thiophene-2-sulfonamide?
The InChIKey is CIIKRYKPTGLWFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO3S3/c13-12(14,15)19-9-3-1-8(2-4-9)7-20-10-5-6-11(21-10)22(16,17)18/h1-6H,7H2,(H2,16,17,18).
What are the key properties of 5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]thiophene-2-sulfonamide?
5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]thiophene-2-sulfonamide has a molecular weight of 369.41 g/mol, XLogP of 3.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(trifluoromethoxy)phenyl]methylsulfanyl]thiophene-2-sulfonamide is sourced from PubChem (CID 132819872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).