N-benzyl-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide

C19H16F3NO3S — CID 167880591

IUPACN-benzyl-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1C(F)(F)F)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C19H16F3NO3S/c20-19(21,22)17-10-4-5-11-18(17)27(24,25)23(14-16-9-6-12-26-16)13-15-7-2-1-3-8-15/h1-12H,13-14H2
InChIKeyZJZBYOAJZBNIOH-UHFFFAOYSA-N
MW395.40 g/mol
LogP4.69
Rot. Bonds6

About N-benzyl-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide

N-benzyl-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide (PubChem CID 167880591) has the molecular formula C19H16F3NO3S and a molecular weight of 395.40 g/mol. Its IUPAC name is N-benzyl-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
PubChem CID167880591
Molecular FormulaC19H16F3NO3S
Molecular Weight395.40 g/mol
Exact Mass395.08
IUPAC NameN-benzyl-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccccc1C(F)(F)F)N(Cc1ccccc1)Cc1ccco1
InChIInChI=1S/C19H16F3NO3S/c20-19(21,22)17-10-4-5-11-18(17)27(24,25)23(14-16-9-6-12-26-16)13-15-7-2-1-3-8-15/h1-12H,13-14H2
InChIKeyZJZBYOAJZBNIOH-UHFFFAOYSA-N
XLogP4.69
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.40
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 60594886
4-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 30668612
N-benzyl-N-(furan-2-ylmethyl)-2,5-dimethylbenzenesulfonamide
CID 2563703
N-[(3-ethynylphenyl)methyl]-2-fluoro-N-(furan-2-ylmethyl)benzenesulfonamide
CID 167942455
2-chloro-N-(furan-2-ylmethyl)-N-(pyridin-3-ylmethyl)benzenesulfonamide
CID 25336701
N-benzyl-N-(furan-2-ylmethyl)-4-methoxybenzenesulfonamide
CID 1058767
N-(furan-2-ylmethyl)-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 167947468
N-cyclopropyl-4-[[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]benzamide
CID 39984976
2-[(2-fluorophenyl)sulfonyl-(furan-2-ylmethyl)amino]-N-methylacetamide
CID 32888554
2-chloro-N-[(4-cyanophenyl)methyl]-N-(furan-2-ylmethyl)-5-(trifluoromethyl)benzenesulfonamide
CID 30232442
2-fluoro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084730
2-chloro-N-(furan-2-ylmethyl)-N-(pyridin-2-ylmethyl)benzenesulfonamide
CID 121084747

Frequently Asked Questions

What is the IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-benzyl-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide (CID 167880591) is N-benzyl-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-benzyl-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-benzyl-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide is O=S(=O)(c1ccccc1C(F)(F)F)N(Cc1ccccc1)Cc1ccco1.
What is the InChIKey of N-benzyl-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
The InChIKey is ZJZBYOAJZBNIOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3NO3S/c20-19(21,22)17-10-4-5-11-18(17)27(24,25)23(14-16-9-6-12-26-16)13-15-7-2-1-3-8-15/h1-12H,13-14H2.
What are the key properties of N-benzyl-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide?
N-benzyl-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide has a molecular weight of 395.40 g/mol, XLogP of 4.69, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 167880591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).