N-[4-(4-chlorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide

C22H23ClN2O5S — CID 72547793

IUPACN-[4-(4-chlorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O5S/c1-4-29-21-13-22(26)25(3)14-19(21)18-12-16(24-31(27,28)5-2)8-11-20(18)30-17-9-6-15(23)7-10-17/h6-14,24H,4-5H2,1-3H3
InChIKeyXWFPRLMZQYWIME-UHFFFAOYSA-N
MW462.96 g/mol
LogP4.66
Rot. Bonds8

About N-[4-(4-chlorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide

N-[4-(4-chlorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide (PubChem CID 72547793) has the molecular formula C22H23ClN2O5S and a molecular weight of 462.96 g/mol. Its IUPAC name is N-[4-(4-chlorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[4-(4-chlorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide
PubChem CID72547793
Molecular FormulaC22H23ClN2O5S
Molecular Weight462.96 g/mol
Exact Mass462.10
IUPAC NameN-[4-(4-chlorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide
SMILESCCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1ccc(Cl)cc1
InChIInChI=1S/C22H23ClN2O5S/c1-4-29-21-13-22(26)25(3)14-19(21)18-12-16(24-31(27,28)5-2)8-11-20(18)30-17-9-6-15(23)7-10-17/h6-14,24H,4-5H2,1-3H3
InChIKeyXWFPRLMZQYWIME-UHFFFAOYSA-N
XLogP4.66
TPSA86.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.96
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-(4-chlorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide?
The IUPAC name of N-[4-(4-chlorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide (CID 72547793) is N-[4-(4-chlorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide.
What is the SMILES notation for N-[4-(4-chlorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide?
The canonical SMILES for N-[4-(4-chlorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide is CCOc1cc(=O)n(C)cc1-c1cc(NS(=O)(=O)CC)ccc1Oc1ccc(Cl)cc1.
What is the InChIKey of N-[4-(4-chlorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide?
The InChIKey is XWFPRLMZQYWIME-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23ClN2O5S/c1-4-29-21-13-22(26)25(3)14-19(21)18-12-16(24-31(27,28)5-2)8-11-20(18)30-17-9-6-15(23)7-10-17/h6-14,24H,4-5H2,1-3H3.
What are the key properties of N-[4-(4-chlorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide?
N-[4-(4-chlorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide has a molecular weight of 462.96 g/mol, XLogP of 4.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-chlorophenoxy)-3-(4-ethoxy-1-methyl-6-oxo-3-pyridinyl)phenyl]ethanesulfonamide is sourced from PubChem (CID 72547793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).