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

C18H13Cl3N2O3S — CID 22993865

IUPAC2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C18H13Cl3N2O3S/c1-11-6-14(3-4-17(11)26-15-7-13(20)9-22-10-15)23-27(24,25)18-5-2-12(19)8-16(18)21/h2-10,23H,1H3
InChIKeyQFNZJYYBROPINR-UHFFFAOYSA-N
MW443.74 g/mol
LogP5.94
Rot. Bonds5

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

2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]benzenesulfonamide (PubChem CID 22993865) has the molecular formula C18H13Cl3N2O3S and a molecular weight of 443.74 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]benzenesulfonamide
PubChem CID22993865
Molecular FormulaC18H13Cl3N2O3S
Molecular Weight443.74 g/mol
Exact Mass441.97
IUPAC Name2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C18H13Cl3N2O3S/c1-11-6-14(3-4-17(11)26-15-7-13(20)9-22-10-15)23-27(24,25)18-5-2-12(19)8-16(18)21/h2-10,23H,1H3
InChIKeyQFNZJYYBROPINR-UHFFFAOYSA-N
XLogP5.94
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500443.74
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]benzenesulfonamide with MolForge

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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
Ethyl 5-(4-chlorobenzenesulfonamido)-2-(3-chloro-5-pyridyloxy)benzoate
CID 2800607
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-(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

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]benzenesulfonamide (CID 22993865) is 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]benzenesulfonamide is Cc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1.
What is the InChIKey of 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]benzenesulfonamide?
The InChIKey is QFNZJYYBROPINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2O3S/c1-11-6-14(3-4-17(11)26-15-7-13(20)9-22-10-15)23-27(24,25)18-5-2-12(19)8-16(18)21/h2-10,23H,1H3.
What are the key properties of 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]benzenesulfonamide?
2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methylphenyl]benzenesulfonamide has a molecular weight of 443.74 g/mol, XLogP of 5.94, 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-methylphenyl]benzenesulfonamide is sourced from PubChem (CID 22993865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).