N-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methyl]thiophene-3-sulfonamide

C12H8F5NO2S2 — CID 166371367

IUPACN-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methyl]thiophene-3-sulfonamide
SMILESO=S(=O)(NCc1c(F)cc(C(F)(F)F)cc1F)c1ccsc1
InChIInChI=1S/C12H8F5NO2S2/c13-10-3-7(12(15,16)17)4-11(14)9(10)5-18-22(19,20)8-1-2-21-6-8/h1-4,6,18H,5H2
InChIKeyHNBJMUHQYHRKBF-UHFFFAOYSA-N
MW357.33 g/mol
LogP3.52
Rot. Bonds4

About N-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methyl]thiophene-3-sulfonamide

N-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methyl]thiophene-3-sulfonamide (PubChem CID 166371367) has the molecular formula C12H8F5NO2S2 and a molecular weight of 357.33 g/mol. Its IUPAC name is N-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methyl]thiophene-3-sulfonamide.

Molecular Properties

Compound NameN-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methyl]thiophene-3-sulfonamide
PubChem CID166371367
Molecular FormulaC12H8F5NO2S2
Molecular Weight357.33 g/mol
Exact Mass356.99
IUPAC NameN-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methyl]thiophene-3-sulfonamide
SMILESO=S(=O)(NCc1c(F)cc(C(F)(F)F)cc1F)c1ccsc1
InChIInChI=1S/C12H8F5NO2S2/c13-10-3-7(12(15,16)17)4-11(14)9(10)5-18-22(19,20)8-1-2-21-6-8/h1-4,6,18H,5H2
InChIKeyHNBJMUHQYHRKBF-UHFFFAOYSA-N
XLogP3.52
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.33
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methyl]thiophene-3-sulfonamide?
The IUPAC name of N-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methyl]thiophene-3-sulfonamide (CID 166371367) is N-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methyl]thiophene-3-sulfonamide.
What is the SMILES notation for N-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methyl]thiophene-3-sulfonamide?
The canonical SMILES for N-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methyl]thiophene-3-sulfonamide is O=S(=O)(NCc1c(F)cc(C(F)(F)F)cc1F)c1ccsc1.
What is the InChIKey of N-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methyl]thiophene-3-sulfonamide?
The InChIKey is HNBJMUHQYHRKBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F5NO2S2/c13-10-3-7(12(15,16)17)4-11(14)9(10)5-18-22(19,20)8-1-2-21-6-8/h1-4,6,18H,5H2.
What are the key properties of N-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methyl]thiophene-3-sulfonamide?
N-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methyl]thiophene-3-sulfonamide has a molecular weight of 357.33 g/mol, XLogP of 3.52, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2,6-difluoro-4-(trifluoromethyl)phenyl]methyl]thiophene-3-sulfonamide is sourced from PubChem (CID 166371367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).