N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzenesulfonamide

C21H18F3NO3S — CID 68737669

IUPACN-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1cccc(-c2cc(C(F)(F)F)ccc2O)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18F3NO3S/c1-25(29(27,28)18-8-3-2-4-9-18)14-15-6-5-7-16(12-15)19-13-17(21(22,23)24)10-11-20(19)26/h2-13,26H,14H2,1H3
InChIKeyGIQYNQMIKVIFLD-UHFFFAOYSA-N
MW421.44 g/mol
LogP4.90
Rot. Bonds5

About N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzenesulfonamide

N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzenesulfonamide (PubChem CID 68737669) has the molecular formula C21H18F3NO3S and a molecular weight of 421.44 g/mol. Its IUPAC name is N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzenesulfonamide
PubChem CID68737669
Molecular FormulaC21H18F3NO3S
Molecular Weight421.44 g/mol
Exact Mass421.10
IUPAC NameN-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzenesulfonamide
SMILESCN(Cc1cccc(-c2cc(C(F)(F)F)ccc2O)c1)S(=O)(=O)c1ccccc1
InChIInChI=1S/C21H18F3NO3S/c1-25(29(27,28)18-8-3-2-4-9-18)14-15-6-5-7-16(12-15)19-13-17(21(22,23)24)10-11-20(19)26/h2-13,26H,14H2,1H3
InChIKeyGIQYNQMIKVIFLD-UHFFFAOYSA-N
XLogP4.90
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.44
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzamide
CID 68738978
4-fluoro-N-methyl-N-[[3-(trifluoromethyl)phenyl]methyl]benzenesulfonamide
CID 112787889
N-benzyl-2,4-dihydroxy-N-methyl-5-phenylbenzenesulfonamide
CID 175262057
2-[4-hydroxy-3-[3-(trifluoromethyl)phenyl]phenyl]acetic acid
CID 171369386
4-fluoro-N-[[4-[(4-methoxyphenyl)methoxy]-3-[3-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzenesulfonamide
CID 66868532
N-[2-chloro-5-(trifluoromethyl)phenyl]-N-methylbenzenesulfonamide
CID 84511027
(2R)-2-[benzenesulfonyl(methyl)amino]-3-[3-(trifluoromethyl)phenyl]propanoic acid
CID 125045170
N-benzyl-3-ethyl-N-methylbenzenesulfonamide
CID 90124269
N-methyl-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60762861
2-[4-[[(4-fluorophenyl)sulfonyl-methylamino]methyl]-2-(3-hydroxyphenyl)phenoxy]acetic acid
CID 67528252
2-(3-methylsulfonylphenyl)-4-(trifluoromethyl)benzoic acid
CID 172648599
2-[4-[[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl-methylamino]methyl]-2-[3-(trifluoromethyl)phenyl]phenoxy]acetic acid
CID 67527773

Frequently Asked Questions

What is the IUPAC name of N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzenesulfonamide?
The IUPAC name of N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzenesulfonamide (CID 68737669) is N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzenesulfonamide?
The canonical SMILES for N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzenesulfonamide is CN(Cc1cccc(-c2cc(C(F)(F)F)ccc2O)c1)S(=O)(=O)c1ccccc1.
What is the InChIKey of N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzenesulfonamide?
The InChIKey is GIQYNQMIKVIFLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18F3NO3S/c1-25(29(27,28)18-8-3-2-4-9-18)14-15-6-5-7-16(12-15)19-13-17(21(22,23)24)10-11-20(19)26/h2-13,26H,14H2,1H3.
What are the key properties of N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzenesulfonamide?
N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzenesulfonamide has a molecular weight of 421.44 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[3-[2-hydroxy-5-(trifluoromethyl)phenyl]phenyl]methyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 68737669), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).