N-(5-tert-butyl-2-pyridinyl)-5-(trifluoromethyl)furan-2-sulfonamide

C14H15F3N2O3S — CID 167891532

IUPACN-(5-tert-butyl-2-pyridinyl)-5-(trifluoromethyl)furan-2-sulfonamide
SMILESCC(C)(C)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)o2)nc1
InChIInChI=1S/C14H15F3N2O3S/c1-13(2,3)9-4-6-11(18-8-9)19-23(20,21)12-7-5-10(22-12)14(15,16)17/h4-8H,1-3H3,(H,18,19)
InChIKeyAJUHHBDLPIHSOD-UHFFFAOYSA-N
MW348.35 g/mol
LogP3.79
Rot. Bonds3

About N-(5-tert-butyl-2-pyridinyl)-5-(trifluoromethyl)furan-2-sulfonamide

N-(5-tert-butyl-2-pyridinyl)-5-(trifluoromethyl)furan-2-sulfonamide (PubChem CID 167891532) has the molecular formula C14H15F3N2O3S and a molecular weight of 348.35 g/mol. Its IUPAC name is N-(5-tert-butyl-2-pyridinyl)-5-(trifluoromethyl)furan-2-sulfonamide.

Molecular Properties

Compound NameN-(5-tert-butyl-2-pyridinyl)-5-(trifluoromethyl)furan-2-sulfonamide
PubChem CID167891532
Molecular FormulaC14H15F3N2O3S
Molecular Weight348.35 g/mol
Exact Mass348.08
IUPAC NameN-(5-tert-butyl-2-pyridinyl)-5-(trifluoromethyl)furan-2-sulfonamide
SMILESCC(C)(C)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)o2)nc1
InChIInChI=1S/C14H15F3N2O3S/c1-13(2,3)9-4-6-11(18-8-9)19-23(20,21)12-7-5-10(22-12)14(15,16)17/h4-8H,1-3H3,(H,18,19)
InChIKeyAJUHHBDLPIHSOD-UHFFFAOYSA-N
XLogP3.79
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.35
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-tert-butyl-2-pyridinyl)-5-(trifluoromethyl)furan-2-sulfonamide?
The IUPAC name of N-(5-tert-butyl-2-pyridinyl)-5-(trifluoromethyl)furan-2-sulfonamide (CID 167891532) is N-(5-tert-butyl-2-pyridinyl)-5-(trifluoromethyl)furan-2-sulfonamide.
What is the SMILES notation for N-(5-tert-butyl-2-pyridinyl)-5-(trifluoromethyl)furan-2-sulfonamide?
The canonical SMILES for N-(5-tert-butyl-2-pyridinyl)-5-(trifluoromethyl)furan-2-sulfonamide is CC(C)(C)c1ccc(NS(=O)(=O)c2ccc(C(F)(F)F)o2)nc1.
What is the InChIKey of N-(5-tert-butyl-2-pyridinyl)-5-(trifluoromethyl)furan-2-sulfonamide?
The InChIKey is AJUHHBDLPIHSOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15F3N2O3S/c1-13(2,3)9-4-6-11(18-8-9)19-23(20,21)12-7-5-10(22-12)14(15,16)17/h4-8H,1-3H3,(H,18,19).
What are the key properties of N-(5-tert-butyl-2-pyridinyl)-5-(trifluoromethyl)furan-2-sulfonamide?
N-(5-tert-butyl-2-pyridinyl)-5-(trifluoromethyl)furan-2-sulfonamide has a molecular weight of 348.35 g/mol, XLogP of 3.79, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-tert-butyl-2-pyridinyl)-5-(trifluoromethyl)furan-2-sulfonamide is sourced from PubChem (CID 167891532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).