1,1,1-trifluoro-N-[5-[(2-phenylphenyl)methoxy]naphthalen-2-yl]methanesulfonamide

C24H18F3NO3S — CID 22337866

IUPAC1,1,1-trifluoro-N-[5-[(2-phenylphenyl)methoxy]naphthalen-2-yl]methanesulfonamide
SMILESO=S(=O)(Nc1ccc2c(OCc3ccccc3-c3ccccc3)cccc2c1)C(F)(F)F
InChIInChI=1S/C24H18F3NO3S/c25-24(26,27)32(29,30)28-20-13-14-22-18(15-20)10-6-12-23(22)31-16-19-9-4-5-11-21(19)17-7-2-1-3-8-17/h1-15,28H,16H2
InChIKeyJBLONHXCWDRPKN-UHFFFAOYSA-N
MW457.47 g/mol
LogP6.35
Rot. Bonds6

About 1,1,1-trifluoro-N-[5-[(2-phenylphenyl)methoxy]naphthalen-2-yl]methanesulfonamide

1,1,1-trifluoro-N-[5-[(2-phenylphenyl)methoxy]naphthalen-2-yl]methanesulfonamide (PubChem CID 22337866) has the molecular formula C24H18F3NO3S and a molecular weight of 457.47 g/mol. Its IUPAC name is 1,1,1-trifluoro-N-[5-[(2-phenylphenyl)methoxy]naphthalen-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1,1,1-trifluoro-N-[5-[(2-phenylphenyl)methoxy]naphthalen-2-yl]methanesulfonamide
PubChem CID22337866
Molecular FormulaC24H18F3NO3S
Molecular Weight457.47 g/mol
Exact Mass457.10
IUPAC Name1,1,1-trifluoro-N-[5-[(2-phenylphenyl)methoxy]naphthalen-2-yl]methanesulfonamide
SMILESO=S(=O)(Nc1ccc2c(OCc3ccccc3-c3ccccc3)cccc2c1)C(F)(F)F
InChIInChI=1S/C24H18F3NO3S/c25-24(26,27)32(29,30)28-20-13-14-22-18(15-20)10-6-12-23(22)31-16-19-9-4-5-11-21(19)17-7-2-1-3-8-17/h1-15,28H,16H2
InChIKeyJBLONHXCWDRPKN-UHFFFAOYSA-N
XLogP6.35
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.47
LogP ≤ 56.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-[[2-(2,4-difluorophenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]-1,1,1-trifluoromethanesulfonamide
CID 10006164
1,1,1-trifluoro-N-[5-[[2-(4-methoxyphenyl)-1,3-thiazol-4-yl]methoxy]naphthalen-2-yl]methanesulfonamide
CID 10051418
1,1,1-trifluoro-N-[5-[[5-[3-(trifluoromethyl)phenyl]-2H-1,2,4-oxadiazol-5-yl]methoxy]naphthalen-2-yl]methanesulfonamide
CID 87998502
2-(naphthalen-1-yloxymethyl)benzoic acid
CID 43473128
1-phenyl-2-[[2-(trifluoromethyl)phenyl]methoxy]benzene
CID 173255232
1,1,1-trifluoro-N-[3-(2-propan-2-ylphenyl)phenyl]methanesulfonamide
CID 142590107
[6-(2-methoxyphenyl)naphthalen-1-yl] trifluoromethanesulfonate
CID 50942709
methyl 2-phenyl-6-(trifluoromethylsulfonyloxy)benzoate
CID 87553896
5-phenylmethoxynaphthalen-2-ol
CID 71348952
2-(naphthalen-2-ylamino)-5-[2-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]benzoic acid
CID 145174974
1,1,1-trifluoro-N-[3-(4-methylphenyl)phenyl]methanesulfonamide
CID 175234546
N-naphthalen-2-yl-2-(2-phenylphenoxy)acetamide
CID 7919445

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-N-[5-[(2-phenylphenyl)methoxy]naphthalen-2-yl]methanesulfonamide?
The IUPAC name of 1,1,1-trifluoro-N-[5-[(2-phenylphenyl)methoxy]naphthalen-2-yl]methanesulfonamide (CID 22337866) is 1,1,1-trifluoro-N-[5-[(2-phenylphenyl)methoxy]naphthalen-2-yl]methanesulfonamide.
What is the SMILES notation for 1,1,1-trifluoro-N-[5-[(2-phenylphenyl)methoxy]naphthalen-2-yl]methanesulfonamide?
The canonical SMILES for 1,1,1-trifluoro-N-[5-[(2-phenylphenyl)methoxy]naphthalen-2-yl]methanesulfonamide is O=S(=O)(Nc1ccc2c(OCc3ccccc3-c3ccccc3)cccc2c1)C(F)(F)F.
What is the InChIKey of 1,1,1-trifluoro-N-[5-[(2-phenylphenyl)methoxy]naphthalen-2-yl]methanesulfonamide?
The InChIKey is JBLONHXCWDRPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F3NO3S/c25-24(26,27)32(29,30)28-20-13-14-22-18(15-20)10-6-12-23(22)31-16-19-9-4-5-11-21(19)17-7-2-1-3-8-17/h1-15,28H,16H2.
What are the key properties of 1,1,1-trifluoro-N-[5-[(2-phenylphenyl)methoxy]naphthalen-2-yl]methanesulfonamide?
1,1,1-trifluoro-N-[5-[(2-phenylphenyl)methoxy]naphthalen-2-yl]methanesulfonamide has a molecular weight of 457.47 g/mol, XLogP of 6.35, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-N-[5-[(2-phenylphenyl)methoxy]naphthalen-2-yl]methanesulfonamide is sourced from PubChem (CID 22337866), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).