2,4-dichloro-N-[2-[(5-chloro-3-pyridinyl)oxy]-5-methylphenyl]-5-methylbenzenesulfonamide

C19H15Cl3N2O3S — CID 21357756

IUPAC2,4-dichloro-N-[2-[(5-chloro-3-pyridinyl)oxy]-5-methylphenyl]-5-methylbenzenesulfonamide
SMILESCc1ccc(Oc2cncc(Cl)c2)c(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)c1
InChIInChI=1S/C19H15Cl3N2O3S/c1-11-3-4-18(27-14-7-13(20)9-23-10-14)17(5-11)24-28(25,26)19-6-12(2)15(21)8-16(19)22/h3-10,24H,1-2H3
InChIKeyJMYPULOKMYKNKX-UHFFFAOYSA-N
MW457.77 g/mol
LogP6.25
Rot. Bonds5

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

2,4-dichloro-N-[2-[(5-chloro-3-pyridinyl)oxy]-5-methylphenyl]-5-methylbenzenesulfonamide (PubChem CID 21357756) has the molecular formula C19H15Cl3N2O3S and a molecular weight of 457.77 g/mol. Its IUPAC name is 2,4-dichloro-N-[2-[(5-chloro-3-pyridinyl)oxy]-5-methylphenyl]-5-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[2-[(5-chloro-3-pyridinyl)oxy]-5-methylphenyl]-5-methylbenzenesulfonamide
PubChem CID21357756
Molecular FormulaC19H15Cl3N2O3S
Molecular Weight457.77 g/mol
Exact Mass455.99
IUPAC Name2,4-dichloro-N-[2-[(5-chloro-3-pyridinyl)oxy]-5-methylphenyl]-5-methylbenzenesulfonamide
SMILESCc1ccc(Oc2cncc(Cl)c2)c(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)c1
InChIInChI=1S/C19H15Cl3N2O3S/c1-11-3-4-18(27-14-7-13(20)9-23-10-14)17(5-11)24-28(25,26)19-6-12(2)15(21)8-16(19)22/h3-10,24H,1-2H3
InChIKeyJMYPULOKMYKNKX-UHFFFAOYSA-N
XLogP6.25
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.77
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-bromo-4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-2,4-dichloro-5-methylbenzenesulfonamide
CID 23515232
5-[(5-chloro-3-pyridinyl)oxy]-2-[(2,4-dichloro-5-methylphenyl)sulfonylamino]benzamide
CID 69150759
3-chloro-5-(2-chloro-4-methylphenoxy)pyridine
CID 143108341
2,4,5-trichloro-N-[2-(difluoromethoxy)-5-methylphenyl]benzenesulfonamide
CID 19684098
2,4-dichloro-5-[(2-methoxy-5-methylphenyl)sulfamoyl]benzoic acid
CID 2471817
2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide;2,4-dichloro-N-[3,5-dichloro-4-[(5-chloro-3-pyridinyl)oxy]phenyl]benzenesulfonamide
CID 158112111
N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]-5-methylpyridine-2-sulfonamide;2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide;methane
CID 162078078
5-amino-2-[(5-chloro-3-pyridinyl)oxy]-N-methylbenzenesulfonamide
CID 103287831
4-chloro-N-(2-cyano-5-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 3667080
2-[(5-chloro-3-pyridinyl)oxy]-5-[(2,4-dichlorophenyl)sulfonylamino]-N-ethylbenzamide
CID 71525044
N-[5-chloro-2-(4-chlorophenoxy)phenyl]-4-methylbenzenesulfonamide
CID 169370059
2-chloro-N-(2-fluoro-5-methylphenyl)-4-methylbenzenesulfonamide
CID 32673947

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[2-[(5-chloro-3-pyridinyl)oxy]-5-methylphenyl]-5-methylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[2-[(5-chloro-3-pyridinyl)oxy]-5-methylphenyl]-5-methylbenzenesulfonamide (CID 21357756) is 2,4-dichloro-N-[2-[(5-chloro-3-pyridinyl)oxy]-5-methylphenyl]-5-methylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[2-[(5-chloro-3-pyridinyl)oxy]-5-methylphenyl]-5-methylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[2-[(5-chloro-3-pyridinyl)oxy]-5-methylphenyl]-5-methylbenzenesulfonamide is Cc1ccc(Oc2cncc(Cl)c2)c(NS(=O)(=O)c2cc(C)c(Cl)cc2Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[2-[(5-chloro-3-pyridinyl)oxy]-5-methylphenyl]-5-methylbenzenesulfonamide?
The InChIKey is JMYPULOKMYKNKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15Cl3N2O3S/c1-11-3-4-18(27-14-7-13(20)9-23-10-14)17(5-11)24-28(25,26)19-6-12(2)15(21)8-16(19)22/h3-10,24H,1-2H3.
What are the key properties of 2,4-dichloro-N-[2-[(5-chloro-3-pyridinyl)oxy]-5-methylphenyl]-5-methylbenzenesulfonamide?
2,4-dichloro-N-[2-[(5-chloro-3-pyridinyl)oxy]-5-methylphenyl]-5-methylbenzenesulfonamide has a molecular weight of 457.77 g/mol, XLogP of 6.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[2-[(5-chloro-3-pyridinyl)oxy]-5-methylphenyl]-5-methylbenzenesulfonamide is sourced from PubChem (CID 21357756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).