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

C17H10Cl3FN2O3S — CID 23515186

IUPAC2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2cncc(Cl)c2)c(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H10Cl3FN2O3S/c18-10-1-4-17(14(20)6-10)27(24,25)23-12-2-3-16(15(21)7-12)26-13-5-11(19)8-22-9-13/h1-9,23H
InChIKeyIGYVYFSWBONPAC-UHFFFAOYSA-N
MW447.70 g/mol
LogP5.77
Rot. Bonds5

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

2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]benzenesulfonamide (PubChem CID 23515186) has the molecular formula C17H10Cl3FN2O3S and a molecular weight of 447.70 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]benzenesulfonamide
PubChem CID23515186
Molecular FormulaC17H10Cl3FN2O3S
Molecular Weight447.70 g/mol
Exact Mass445.95
IUPAC Name2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1ccc(Oc2cncc(Cl)c2)c(F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H10Cl3FN2O3S/c18-10-1-4-17(14(20)6-10)27(24,25)23-12-2-3-16(15(21)7-12)26-13-5-11(19)8-22-9-13/h1-9,23H
InChIKeyIGYVYFSWBONPAC-UHFFFAOYSA-N
XLogP5.77
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500447.70
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
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-(3-Chloro-5-pyridyloxy)-5-(2,4-dichlorobenzenesulfonamido)benzotrifluoride
CID 22993886
3,4-dichloro-N-(5-chloro-2-pyridin-3-yloxy-3-pyridinyl)benzenesulfonamide
CID 49798438
3,4-dichloro-N-[5-chloro-2-[(2-methyl-3-pyridinyl)oxy]-3-pyridinyl]benzenesulfonamide
CID 49798461
3,4-dichloro-N-[5-chloro-2-[(5-chloro-3-pyridinyl)oxy]-3-pyridinyl]benzenesulfonamide
CID 49798462
2,4-dichloro-N-(3-fluoro-4-quinolin-3-yloxyphenyl)benzenesulfonamide
CID 71525221

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]benzenesulfonamide (CID 23515186) is 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]benzenesulfonamide is O=S(=O)(Nc1ccc(Oc2cncc(Cl)c2)c(F)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]benzenesulfonamide?
The InChIKey is IGYVYFSWBONPAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Cl3FN2O3S/c18-10-1-4-17(14(20)6-10)27(24,25)23-12-2-3-16(15(21)7-12)26-13-5-11(19)8-22-9-13/h1-9,23H.
What are the key properties of 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]benzenesulfonamide?
2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-fluorophenyl]benzenesulfonamide has a molecular weight of 447.70 g/mol, XLogP of 5.77, 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-fluorophenyl]benzenesulfonamide is sourced from PubChem (CID 23515186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).