N-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide

C19H13Cl2F3N2O3S — CID 169370854

IUPACN-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)c(Oc3ccc(C(F)(F)F)cn3)c(Cl)c2)cc1
InChIInChI=1S/C19H13Cl2F3N2O3S/c1-11-2-5-14(6-3-11)30(27,28)26-13-8-15(20)18(16(21)9-13)29-17-7-4-12(10-25-17)19(22,23)24/h2-10,26H,1H3
InChIKeyAMTKJQQNNMYABF-UHFFFAOYSA-N
MW477.29 g/mol
LogP6.31
Rot. Bonds5

About N-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide

N-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide (PubChem CID 169370854) has the molecular formula C19H13Cl2F3N2O3S and a molecular weight of 477.29 g/mol. Its IUPAC name is N-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide
PubChem CID169370854
Molecular FormulaC19H13Cl2F3N2O3S
Molecular Weight477.29 g/mol
Exact Mass476.00
IUPAC NameN-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2cc(Cl)c(Oc3ccc(C(F)(F)F)cn3)c(Cl)c2)cc1
InChIInChI=1S/C19H13Cl2F3N2O3S/c1-11-2-5-14(6-3-11)30(27,28)26-13-8-15(20)18(16(21)9-13)29-17-7-4-12(10-25-17)19(22,23)24/h2-10,26H,1H3
InChIKeyAMTKJQQNNMYABF-UHFFFAOYSA-N
XLogP6.31
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500477.29
LogP ≤ 56.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-chloro-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 169369956
N-[3,5-bis(2,2,2-trifluoroethoxy)phenyl]-4-methylbenzenesulfonamide
CID 22203485
N-(4-bromo-3,5-dichlorophenyl)-4-methylbenzenesulfonamide
CID 169370356
N-[3-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide
CID 169370063
3-chloro-2-(4-methylphenyl)sulfonyl-5-(trifluoromethyl)pyridine
CID 86192063
N-[4-[2,6-difluoro-4-(trifluoromethyl)phenoxy]phenyl]-4-methylbenzenesulfonamide
CID 169373112
4-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]oxy]-N-(2,3,4,5,6-pentafluorophenyl)benzenesulfonamide
CID 3759506
N-[2,6-dichloro-4-(1,1,1,2,3,3,3-heptafluoropropan-2-yl)phenyl]-4-methylbenzenesulfonamide
CID 169370068
N-(2-chloro-4-pyridinyl)-4-(trifluoromethyl)benzenesulfonamide
CID 103944025
N-(2-methoxypyrimidin-5-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 91968408
4-chloro-N-(6-ethoxy-3-pyridinyl)-3-(trifluoromethyl)benzenesulfonamide
CID 71038451
2-[2-methyl-4-(4-methylphenyl)phenoxy]-5-(trifluoromethyl)pyridine
CID 2435081

Frequently Asked Questions

What is the IUPAC name of N-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide (CID 169370854) is N-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2cc(Cl)c(Oc3ccc(C(F)(F)F)cn3)c(Cl)c2)cc1.
What is the InChIKey of N-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is AMTKJQQNNMYABF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13Cl2F3N2O3S/c1-11-2-5-14(6-3-11)30(27,28)26-13-8-15(20)18(16(21)9-13)29-17-7-4-12(10-25-17)19(22,23)24/h2-10,26H,1H3.
What are the key properties of N-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide?
N-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 477.29 g/mol, XLogP of 6.31, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169370854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).