N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzenesulfonamide

C17H13F3N2O3S — CID 121196945

IUPACN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccoc2)nc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H13F3N2O3S/c18-17(19,20)14-3-1-2-4-16(14)26(23,24)22-10-12-5-6-15(21-9-12)13-7-8-25-11-13/h1-9,11,22H,10H2
InChIKeyAHMVJCURCMLAQV-UHFFFAOYSA-N
MW382.36 g/mol
LogP3.84
Rot. Bonds5

About N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzenesulfonamide

N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 121196945) has the molecular formula C17H13F3N2O3S and a molecular weight of 382.36 g/mol. Its IUPAC name is N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
PubChem CID121196945
Molecular FormulaC17H13F3N2O3S
Molecular Weight382.36 g/mol
Exact Mass382.06
IUPAC NameN-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-c2ccoc2)nc1)c1ccccc1C(F)(F)F
InChIInChI=1S/C17H13F3N2O3S/c18-17(19,20)14-3-1-2-4-16(14)26(23,24)22-10-12-5-6-15(21-9-12)13-7-8-25-11-13/h1-9,11,22H,10H2
InChIKeyAHMVJCURCMLAQV-UHFFFAOYSA-N
XLogP3.84
TPSA72.20 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.36
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzenesulfonamide (CID 121196945) is N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(NCc1ccc(-c2ccoc2)nc1)c1ccccc1C(F)(F)F.
What is the InChIKey of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is AHMVJCURCMLAQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13F3N2O3S/c18-17(19,20)14-3-1-2-4-16(14)26(23,24)22-10-12-5-6-15(21-9-12)13-7-8-25-11-13/h1-9,11,22H,10H2.
What are the key properties of N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzenesulfonamide?
N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 382.36 g/mol, XLogP of 3.84, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[6-(furan-3-yl)-3-pyridinyl]methyl]-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 121196945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).