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

C18H10Cl3F3N2O3S — CID 22993886

IUPAC2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2cncc(Cl)c2)c(C(F)(F)F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H10Cl3F3N2O3S/c19-10-1-4-17(15(21)6-10)30(27,28)26-12-2-3-16(14(7-12)18(22,23)24)29-13-5-11(20)8-25-9-13/h1-9,26H
InChIKeyGVNJSJWCBCKBBJ-UHFFFAOYSA-N
MW497.71 g/mol
LogP6.65
Rot. Bonds5

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

2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 22993886) has the molecular formula C18H10Cl3F3N2O3S and a molecular weight of 497.71 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID22993886
Molecular FormulaC18H10Cl3F3N2O3S
Molecular Weight497.71 g/mol
Exact Mass495.94
IUPAC Name2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2cncc(Cl)c2)c(C(F)(F)F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C18H10Cl3F3N2O3S/c19-10-1-4-17(15(21)6-10)30(27,28)26-12-2-3-16(14(7-12)18(22,23)24)29-13-5-11(20)8-25-9-13/h1-9,26H
InChIKeyGVNJSJWCBCKBBJ-UHFFFAOYSA-N
XLogP6.65
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.71
LogP ≤ 56.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Amg-131
CID 10229498
2,4-dichloro-N-[3,5-dichloro-4-[(5-methyl-3-pyridinyl)oxy]phenyl]benzenesulfonamide
CID 71525170
2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]benzenesulfonamide
CID 10116787
2,4-dichloro-N-[3,5-dichloro-4-(5-chloropyridin-3-yloxy)phenyl]benzenesulfonamide
CID 11249025
2,4-dichloro-N-[3-chloro-4-(5-chloropyridin-3-yloxy)phenyl]benzenesulfonamide
CID 11454050
2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-cyanophenyl]benzenesulfonamide
CID 12112546
N-[3-acetyl-4-[(5-chloro-3-pyridinyl)oxy]phenyl]-2,4-dichlorobenzenesulfonamide
CID 21357774
2,4-dichloro-N-[4-(5-chloropyridin-3-yloxy)-3-methoxyphenyl]benzenesulfonamide
CID 22148735
2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]benzenesulfonamide
CID 22993865
2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]benzenesulfonamide
CID 23515186
2,4-dichloro-N-(3-fluoro-4-quinolin-3-yloxyphenyl)benzenesulfonamide
CID 71525221
4-[3-chloro-5-(trifluoromethyl)pyridin-2-yl]oxy-N-(3,5-dimethylphenyl)benzenesulfonamide
CID 1471186

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide (CID 22993886) is 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Oc2cncc(Cl)c2)c(C(F)(F)F)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is GVNJSJWCBCKBBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H10Cl3F3N2O3S/c19-10-1-4-17(15(21)6-10)30(27,28)26-12-2-3-16(14(7-12)18(22,23)24)29-13-5-11(20)8-25-9-13/h1-9,26H.
What are the key properties of 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide?
2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 497.71 g/mol, XLogP of 6.65, 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-[4-[(5-chloro-3-pyridinyl)oxy]-3-(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 22993886), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).