N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide

C23H23F3N2O3S — CID 67026953

IUPACN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCC(C)(C)c1ccccc1Oc1ncccc1NS(=O)(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H23F3N2O3S/c1-22(2,3)18-10-4-5-12-20(18)31-21-19(11-7-13-27-21)28-32(29,30)15-16-8-6-9-17(14-16)23(24,25)26/h4-14,28H,15H2,1-3H3
InChIKeyYRWZMBHASGYZFL-UHFFFAOYSA-N
MW464.51 g/mol
LogP6.13
Rot. Bonds6

About N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide

N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide (PubChem CID 67026953) has the molecular formula C23H23F3N2O3S and a molecular weight of 464.51 g/mol. Its IUPAC name is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
PubChem CID67026953
Molecular FormulaC23H23F3N2O3S
Molecular Weight464.51 g/mol
Exact Mass464.14
IUPAC NameN-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
SMILESCC(C)(C)c1ccccc1Oc1ncccc1NS(=O)(=O)Cc1cccc(C(F)(F)F)c1
InChIInChI=1S/C23H23F3N2O3S/c1-22(2,3)18-10-4-5-12-20(18)31-21-19(11-7-13-27-21)28-32(29,30)15-16-8-6-9-17(14-16)23(24,25)26/h4-14,28H,15H2,1-3H3
InChIKeyYRWZMBHASGYZFL-UHFFFAOYSA-N
XLogP6.13
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500464.51
LogP ≤ 56.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 68533846
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]naphthalene-1-sulfonamide
CID 67026821
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-(3-phenylmethoxyphenyl)urea
CID 68533651
N-(1,3,4-thiadiazol-2-yl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 71967960
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-chloro-6-(trifluoromethyl)-1H-benzimidazol-2-amine
CID 11408561
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[4-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)phenyl]urea
CID 87486477
1-[2-(2-tert-butylphenoxy)-3-pyridinyl]-3-[4-[(dimethylamino)methyl]-2-fluorophenyl]urea
CID 68528415
5-bromo-N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 59128919
N-(cyanomethyl)-1-[3-(trifluoromethyl)phenyl]methanesulfonamide
CID 15616017
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-5-propyl-4-(trifluoromethyl)-1,3-thiazol-2-amine
CID 143693019
3-[(2-methyl-3-pyridinyl)sulfamoylmethyl]benzoic acid
CID 79042788
1-(4-bromo-2-fluorophenyl)-3-[2-(2-tert-butylphenoxy)-3-pyridinyl]urea
CID 68533805

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The IUPAC name of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide (CID 67026953) is N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide.
What is the SMILES notation for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The canonical SMILES for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide is CC(C)(C)c1ccccc1Oc1ncccc1NS(=O)(=O)Cc1cccc(C(F)(F)F)c1.
What is the InChIKey of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
The InChIKey is YRWZMBHASGYZFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N2O3S/c1-22(2,3)18-10-4-5-12-20(18)31-21-19(11-7-13-27-21)28-32(29,30)15-16-8-6-9-17(14-16)23(24,25)26/h4-14,28H,15H2,1-3H3.
What are the key properties of N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide?
N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide has a molecular weight of 464.51 g/mol, XLogP of 6.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-tert-butylphenoxy)-3-pyridinyl]-1-[3-(trifluoromethyl)phenyl]methanesulfonamide is sourced from PubChem (CID 67026953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).