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

C19H9Cl3F6N2O3S — CID 71525168

IUPAC2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)c(Oc2cncc(Cl)c2)c(C(F)(F)F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H9Cl3F6N2O3S/c20-9-1-2-16(15(22)4-9)34(31,32)30-11-5-13(18(23,24)25)17(14(6-11)19(26,27)28)33-12-3-10(21)7-29-8-12/h1-8,30H
InChIKeyPQZDPDLJIUSAGV-UHFFFAOYSA-N
MW565.71 g/mol
LogP7.67
Rot. Bonds5

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

2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzenesulfonamide (PubChem CID 71525168) has the molecular formula C19H9Cl3F6N2O3S and a molecular weight of 565.71 g/mol. Its IUPAC name is 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzenesulfonamide
PubChem CID71525168
Molecular FormulaC19H9Cl3F6N2O3S
Molecular Weight565.71 g/mol
Exact Mass563.93
IUPAC Name2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzenesulfonamide
SMILESO=S(=O)(Nc1cc(C(F)(F)F)c(Oc2cncc(Cl)c2)c(C(F)(F)F)c1)c1ccc(Cl)cc1Cl
InChIInChI=1S/C19H9Cl3F6N2O3S/c20-9-1-2-16(15(22)4-9)34(31,32)30-11-5-13(18(23,24)25)17(14(6-11)19(26,27)28)33-12-3-10(21)7-29-8-12/h1-8,30H
InChIKeyPQZDPDLJIUSAGV-UHFFFAOYSA-N
XLogP7.67
TPSA68.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500565.71
LogP ≤ 57.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzenesulfonamide?
The IUPAC name of 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzenesulfonamide (CID 71525168) is 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzenesulfonamide is O=S(=O)(Nc1cc(C(F)(F)F)c(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]-3,5-bis(trifluoromethyl)phenyl]benzenesulfonamide?
The InChIKey is PQZDPDLJIUSAGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H9Cl3F6N2O3S/c20-9-1-2-16(15(22)4-9)34(31,32)30-11-5-13(18(23,24)25)17(14(6-11)19(26,27)28)33-12-3-10(21)7-29-8-12/h1-8,30H.
What are the key properties of 2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzenesulfonamide?
2,4-dichloro-N-[4-[(5-chloro-3-pyridinyl)oxy]-3,5-bis(trifluoromethyl)phenyl]benzenesulfonamide has a molecular weight of 565.71 g/mol, XLogP of 7.67, 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]-3,5-bis(trifluoromethyl)phenyl]benzenesulfonamide is sourced from PubChem (CID 71525168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).