N-(furan-2-ylmethyl)-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

C20H15F6NO3S — CID 167947468

IUPACN-(furan-2-ylmethyl)-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N(Cc1ccco1)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C20H15F6NO3S/c21-19(22,23)15-6-3-8-17(11-15)31(28,29)27(13-16-7-4-10-30-16)12-14-5-1-2-9-18(14)20(24,25)26/h1-11H,12-13H2
InChIKeyBOTPGXWEVIFSAS-UHFFFAOYSA-N
MW463.40 g/mol
LogP5.71
Rot. Bonds6

About N-(furan-2-ylmethyl)-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide

N-(furan-2-ylmethyl)-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (PubChem CID 167947468) has the molecular formula C20H15F6NO3S and a molecular weight of 463.40 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
PubChem CID167947468
Molecular FormulaC20H15F6NO3S
Molecular Weight463.40 g/mol
Exact Mass463.07
IUPAC NameN-(furan-2-ylmethyl)-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
SMILESO=S(=O)(c1cccc(C(F)(F)F)c1)N(Cc1ccco1)Cc1ccccc1C(F)(F)F
InChIInChI=1S/C20H15F6NO3S/c21-19(22,23)15-6-3-8-17(11-15)31(28,29)27(13-16-7-4-10-30-16)12-14-5-1-2-9-18(14)20(24,25)26/h1-11H,12-13H2
InChIKeyBOTPGXWEVIFSAS-UHFFFAOYSA-N
XLogP5.71
TPSA50.52 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.40
LogP ≤ 55.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-(furan-2-ylmethyl)-N-(2-thiophen-2-ylethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 90495783
[3-[[(4-chlorophenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 4196487
[3-[[(4-tert-butylphenyl)sulfonyl-(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 4196566
N-benzyl-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 167880591
N,N-diethyl-3-(trifluoromethyl)benzenesulfonamide
CID 5088839
N-(furan-2-ylmethyl)-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]-N-(2-phenylethyl)acetamide
CID 4535974
N,N-bis(thiophen-2-ylmethyl)-3-(trifluoromethyl)benzenesulfonamide
CID 31010892
[2-[[furan-2-carbonyl(furan-2-ylmethyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 71959622
[5-[[furan-2-ylmethyl(naphthalen-1-ylsulfonyl)amino]methyl]-2-methoxyphenyl] 3-(trifluoromethyl)benzenesulfonate
CID 3398056
N-(1,3-benzodioxol-5-ylmethyl)-N-(furan-2-ylmethyl)-2-[2-methylpropyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 4617118
[2-[[furan-2-ylmethyl(3-methylbutanoyl)amino]methyl]phenyl] 3-(trifluoromethyl)benzenesulfonate
CID 71959632
N-(2-cyanoethyl)-N-(furan-2-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 60594886

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide (CID 167947468) is N-(furan-2-ylmethyl)-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is O=S(=O)(c1cccc(C(F)(F)F)c1)N(Cc1ccco1)Cc1ccccc1C(F)(F)F.
What is the InChIKey of N-(furan-2-ylmethyl)-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
The InChIKey is BOTPGXWEVIFSAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15F6NO3S/c21-19(22,23)15-6-3-8-17(11-15)31(28,29)27(13-16-7-4-10-30-16)12-14-5-1-2-9-18(14)20(24,25)26/h1-11H,12-13H2.
What are the key properties of N-(furan-2-ylmethyl)-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide?
N-(furan-2-ylmethyl)-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide has a molecular weight of 463.40 g/mol, XLogP of 5.71, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-3-(trifluoromethyl)-N-[[2-(trifluoromethyl)phenyl]methyl]benzenesulfonamide is sourced from PubChem (CID 167947468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).