N-tert-butyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

C15H16F3NO2S2 — CID 166174686

IUPACN-tert-butyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C15H16F3NO2S2/c1-14(2,3)19-23(20,21)13-8-7-12(22-13)10-5-4-6-11(9-10)15(16,17)18/h4-9,19H,1-3H3
InChIKeyISBOVUDWEVWUIS-UHFFFAOYSA-N
MW363.43 g/mol
LogP4.51
Rot. Bonds3

About N-tert-butyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide

N-tert-butyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (PubChem CID 166174686) has the molecular formula C15H16F3NO2S2 and a molecular weight of 363.43 g/mol. Its IUPAC name is N-tert-butyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-tert-butyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
PubChem CID166174686
Molecular FormulaC15H16F3NO2S2
Molecular Weight363.43 g/mol
Exact Mass363.06
IUPAC NameN-tert-butyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide
SMILESCC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1
InChIInChI=1S/C15H16F3NO2S2/c1-14(2,3)19-23(20,21)13-8-7-12(22-13)10-5-4-6-11(9-10)15(16,17)18/h4-9,19H,1-3H3
InChIKeyISBOVUDWEVWUIS-UHFFFAOYSA-N
XLogP4.51
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.43
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-tert-butyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide (CID 166174686) is N-tert-butyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-tert-butyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-tert-butyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is CC(C)(C)NS(=O)(=O)c1ccc(-c2cccc(C(F)(F)F)c2)s1.
What is the InChIKey of N-tert-butyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
The InChIKey is ISBOVUDWEVWUIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F3NO2S2/c1-14(2,3)19-23(20,21)13-8-7-12(22-13)10-5-4-6-11(9-10)15(16,17)18/h4-9,19H,1-3H3.
What are the key properties of N-tert-butyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide?
N-tert-butyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide has a molecular weight of 363.43 g/mol, XLogP of 4.51, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-5-[3-(trifluoromethyl)phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 166174686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).