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

C18H13Cl3N2O4S — CID 22148735

IUPAC2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C18H13Cl3N2O4S/c1-26-17-8-13(3-4-16(17)27-14-6-12(20)9-22-10-14)23-28(24,25)18-5-2-11(19)7-15(18)21/h2-10,23H,1H3
InChIKeyRKBDMJFHOKSYPX-UHFFFAOYSA-N
MW459.74 g/mol
LogP5.64
Rot. Bonds6

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

2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide (PubChem CID 22148735) has the molecular formula C18H13Cl3N2O4S and a molecular weight of 459.74 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide
PubChem CID22148735
Molecular FormulaC18H13Cl3N2O4S
Molecular Weight459.74 g/mol
Exact Mass457.97
IUPAC Name2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide
SMILESCOc1cc(NS(=O)(=O)c2ccc(Cl)cc2Cl)ccc1Oc1cncc(Cl)c1
InChIInChI=1S/C18H13Cl3N2O4S/c1-26-17-8-13(3-4-16(17)27-14-6-12(20)9-22-10-14)23-28(24,25)18-5-2-11(19)7-15(18)21/h2-10,23H,1H3
InChIKeyRKBDMJFHOKSYPX-UHFFFAOYSA-N
XLogP5.64
TPSA77.52 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.74
LogP ≤ 55.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide (CID 22148735) is 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide is COc1cc(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-methoxyphenyl]benzenesulfonamide?
The InChIKey is RKBDMJFHOKSYPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H13Cl3N2O4S/c1-26-17-8-13(3-4-16(17)27-14-6-12(20)9-22-10-14)23-28(24,25)18-5-2-11(19)7-15(18)21/h2-10,23H,1H3.
What are the key properties of 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide?
2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide has a molecular weight of 459.74 g/mol, XLogP of 5.64, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3-methoxyphenyl]benzenesulfonamide is sourced from PubChem (CID 22148735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).