N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide

C18H15F3N2O3S — CID 52906816

IUPACN-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C18H15F3N2O3S/c19-18(20,21)14-6-8-17(9-7-14)27(24,25)23(13-16-5-3-11-26-16)12-15-4-1-2-10-22-15/h1-11H,12-13H2
InChIKeyHJDDWQMGOWKTNU-UHFFFAOYSA-N
MW396.39 g/mol
LogP4.08
Rot. Bonds6

About N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide

N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 52906816) has the molecular formula C18H15F3N2O3S and a molecular weight of 396.39 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID52906816
Molecular FormulaC18H15F3N2O3S
Molecular Weight396.39 g/mol
Exact Mass396.08
IUPAC NameN-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(C(F)(F)F)cc1)N(Cc1ccccn1)Cc1ccco1
InChIInChI=1S/C18H15F3N2O3S/c19-18(20,21)14-6-8-17(9-7-14)27(24,25)23(13-16-5-3-11-26-16)12-15-4-1-2-10-22-15/h1-11H,12-13H2
InChIKeyHJDDWQMGOWKTNU-UHFFFAOYSA-N
XLogP4.08
TPSA63.41 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.39
LogP ≤ 54.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide (CID 52906816) is N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(c1ccc(C(F)(F)F)cc1)N(Cc1ccccn1)Cc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is HJDDWQMGOWKTNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15F3N2O3S/c19-18(20,21)14-6-8-17(9-7-14)27(24,25)23(13-16-5-3-11-26-16)12-15-4-1-2-10-22-15/h1-11H,12-13H2.
What are the key properties of N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide?
N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 396.39 g/mol, XLogP of 4.08, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 52906816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).