N-[3-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide

C19H14ClF3N2O3S — CID 169370063

IUPACN-[3-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3ncccc3C(F)(F)F)c(Cl)c2)cc1
InChIInChI=1S/C19H14ClF3N2O3S/c1-12-4-7-14(8-5-12)29(26,27)25-13-6-9-17(16(20)11-13)28-18-15(19(21,22)23)3-2-10-24-18/h2-11,25H,1H3
InChIKeyJLHZGKAXQSCNEO-UHFFFAOYSA-N
MW442.85 g/mol
LogP5.66
Rot. Bonds5

About N-[3-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide

N-[3-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide (PubChem CID 169370063) has the molecular formula C19H14ClF3N2O3S and a molecular weight of 442.85 g/mol. Its IUPAC name is N-[3-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[3-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide
PubChem CID169370063
Molecular FormulaC19H14ClF3N2O3S
Molecular Weight442.85 g/mol
Exact Mass442.04
IUPAC NameN-[3-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccc(Oc3ncccc3C(F)(F)F)c(Cl)c2)cc1
InChIInChI=1S/C19H14ClF3N2O3S/c1-12-4-7-14(8-5-12)29(26,27)25-13-6-9-17(16(20)11-13)28-18-15(19(21,22)23)3-2-10-24-18/h2-11,25H,1H3
InChIKeyJLHZGKAXQSCNEO-UHFFFAOYSA-N
XLogP5.66
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.85
LogP ≤ 55.66
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-chloro-4-(pyridin-2-ylmethoxy)phenyl]-4-methylbenzenesulfonamide
CID 52782034
4-chloro-N-(3-chloro-4-quinolin-6-yloxyphenyl)benzenesulfonamide
CID 67931068
N-[4-bromo-3-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 3791581
N-[3,5-dichloro-4-[[5-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide
CID 169370854
N-[3-chloro-4-[1-(4-fluorophenyl)pyrazol-4-yl]oxyphenyl]-4-methylbenzenesulfonamide
CID 46834203
N-(4-chloro-3-methoxyphenyl)-4-methylbenzenesulfonamide
CID 169369934
4-chloro-N-[4-(6-methylquinolin-8-yl)oxyphenyl]benzenesulfonamide
CID 19769793
N-[3-chloro-4-[[3-[[4-chloro-3-(trifluoromethyl)phenyl]sulfonylamino]-5-methyl-2-pyridinyl]oxy]phenyl]prop-2-enamide
CID 167495878
N-(3-chloro-4-methoxyphenyl)-4-(trifluoromethoxy)benzenesulfonamide
CID 8523422
N-[4-chloro-3-(trifluoromethyl)phenyl]-4-methylsulfonylbenzenesulfonamide
CID 25469886
4-chloro-N-(3-chloro-4-methoxyphenyl)benzenesulfonamide
CID 808097

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide?
The IUPAC name of N-[3-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide (CID 169370063) is N-[3-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[3-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[3-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccc(Oc3ncccc3C(F)(F)F)c(Cl)c2)cc1.
What is the InChIKey of N-[3-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide?
The InChIKey is JLHZGKAXQSCNEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClF3N2O3S/c1-12-4-7-14(8-5-12)29(26,27)25-13-6-9-17(16(20)11-13)28-18-15(19(21,22)23)3-2-10-24-18/h2-11,25H,1H3.
What are the key properties of N-[3-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide?
N-[3-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide has a molecular weight of 442.85 g/mol, XLogP of 5.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-[[3-(trifluoromethyl)-2-pyridinyl]oxy]phenyl]-4-methylbenzenesulfonamide is sourced from PubChem (CID 169370063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).