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

C17H9Cl4FN2O3S — CID 10116787

IUPAC2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)c(Oc2cncc(Cl)c2)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H9Cl4FN2O3S/c18-9-1-2-16(13(20)4-9)28(25,26)24-11-5-14(21)17(15(22)6-11)27-12-3-10(19)7-23-8-12/h1-8,24H
InChIKeyQETXNFTVAKZKBG-UHFFFAOYSA-N
MW482.15 g/mol
LogP6.43
Rot. Bonds5

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

2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]benzenesulfonamide (PubChem CID 10116787) has the molecular formula C17H9Cl4FN2O3S and a molecular weight of 482.15 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]benzenesulfonamide
PubChem CID10116787
Molecular FormulaC17H9Cl4FN2O3S
Molecular Weight482.15 g/mol
Exact Mass479.91
IUPAC Name2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(F)c(Oc2cncc(Cl)c2)c(Cl)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C17H9Cl4FN2O3S/c18-9-1-2-16(13(20)4-9)28(25,26)24-11-5-14(21)17(15(22)6-11)27-12-3-10(19)7-23-8-12/h1-8,24H
InChIKeyQETXNFTVAKZKBG-UHFFFAOYSA-N
XLogP6.43
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500482.15
LogP ≤ 56.43
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-[3,5-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
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
2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzenesulfonamide
CID 71525168
2,4-dichloro-N-[3,5-dichloro-4-[(5-cyano-3-pyridinyl)oxy]phenyl]benzenesulfonamide
CID 71525169

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]benzenesulfonamide (CID 10116787) is 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]benzenesulfonamide is O=S(=O)(Nc1cc(F)c(Oc2cncc(Cl)c2)c(Cl)c1)c1ccc(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]benzenesulfonamide?
The InChIKey is QETXNFTVAKZKBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H9Cl4FN2O3S/c18-9-1-2-16(13(20)4-9)28(25,26)24-11-5-14(21)17(15(22)6-11)27-12-3-10(19)7-23-8-12/h1-8,24H.
What are the key properties of 2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]benzenesulfonamide?
2,4-dichloro-N-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]benzenesulfonamide has a molecular weight of 482.15 g/mol, XLogP of 6.43, 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-[3-chloro-4-[(5-chloro-3-pyridinyl)oxy]-5-fluorophenyl]benzenesulfonamide is sourced from PubChem (CID 10116787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).