N-[5-chloro-6-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-1,2-benzoxazol-3-yl]-2-methoxyethanesulfonamide;1,2-dichlorobenzene

C25H25Cl4N3O6S — CID 144708662

IUPACN-[5-chloro-6-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-1,2-benzoxazol-3-yl]-2-methoxyethanesulfonamide;1,2-dichlorobenzene
SMILESCOCCS(=O)(=O)Nc1noc2cc(COc3cnc(OC(C)C)c(Cl)c3)c(Cl)cc12.Clc1ccccc1Cl
InChIInChI=1S/C19H21Cl2N3O6S.C6H4Cl2/c1-11(2)29-19-16(21)7-13(9-22-19)28-10-12-6-17-14(8-15(12)20)18(23-30-17)24-31(25,26)5-4-27-3;7-5-3-1-2-4-6(5)8/h6-9,11H,4-5,10H2,1-3H3,(H,23,24);1-4H
InChIKeyXWEXPGOKUVFNJU-UHFFFAOYSA-N
MW637.37 g/mol
LogP7.28
Rot. Bonds10

About N-[5-chloro-6-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-1,2-benzoxazol-3-yl]-2-methoxyethanesulfonamide;1,2-dichlorobenzene

N-[5-chloro-6-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-1,2-benzoxazol-3-yl]-2-methoxyethanesulfonamide;1,2-dichlorobenzene (PubChem CID 144708662) has the molecular formula C25H25Cl4N3O6S and a molecular weight of 637.37 g/mol. Its IUPAC name is N-[5-chloro-6-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-1,2-benzoxazol-3-yl]-2-methoxyethanesulfonamide;1,2-dichlorobenzene.

Molecular Properties

Compound NameN-[5-chloro-6-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-1,2-benzoxazol-3-yl]-2-methoxyethanesulfonamide;1,2-dichlorobenzene
PubChem CID144708662
Molecular FormulaC25H25Cl4N3O6S
Molecular Weight637.37 g/mol
Exact Mass635.02
IUPAC NameN-[5-chloro-6-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-1,2-benzoxazol-3-yl]-2-methoxyethanesulfonamide;1,2-dichlorobenzene
SMILESCOCCS(=O)(=O)Nc1noc2cc(COc3cnc(OC(C)C)c(Cl)c3)c(Cl)cc12.Clc1ccccc1Cl
InChIInChI=1S/C19H21Cl2N3O6S.C6H4Cl2/c1-11(2)29-19-16(21)7-13(9-22-19)28-10-12-6-17-14(8-15(12)20)18(23-30-17)24-31(25,26)5-4-27-3;7-5-3-1-2-4-6(5)8/h6-9,11H,4-5,10H2,1-3H3,(H,23,24);1-4H
InChIKeyXWEXPGOKUVFNJU-UHFFFAOYSA-N
XLogP7.28
TPSA112.78 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500637.37
LogP ≤ 57.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze N-[5-chloro-6-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-1,2-benzoxazol-3-yl]-2-methoxyethanesulfonamide;1,2-dichlorobenzene with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[5-chloro-6-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-1,2-benzoxazol-3-yl]-2-methoxyethanesulfonamide;1,2-dichlorobenzene?
The IUPAC name of N-[5-chloro-6-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-1,2-benzoxazol-3-yl]-2-methoxyethanesulfonamide;1,2-dichlorobenzene (CID 144708662) is N-[5-chloro-6-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-1,2-benzoxazol-3-yl]-2-methoxyethanesulfonamide;1,2-dichlorobenzene.
What is the SMILES notation for N-[5-chloro-6-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-1,2-benzoxazol-3-yl]-2-methoxyethanesulfonamide;1,2-dichlorobenzene?
The canonical SMILES for N-[5-chloro-6-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-1,2-benzoxazol-3-yl]-2-methoxyethanesulfonamide;1,2-dichlorobenzene is COCCS(=O)(=O)Nc1noc2cc(COc3cnc(OC(C)C)c(Cl)c3)c(Cl)cc12.Clc1ccccc1Cl.
What is the InChIKey of N-[5-chloro-6-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-1,2-benzoxazol-3-yl]-2-methoxyethanesulfonamide;1,2-dichlorobenzene?
The InChIKey is XWEXPGOKUVFNJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O6S.C6H4Cl2/c1-11(2)29-19-16(21)7-13(9-22-19)28-10-12-6-17-14(8-15(12)20)18(23-30-17)24-31(25,26)5-4-27-3;7-5-3-1-2-4-6(5)8/h6-9,11H,4-5,10H2,1-3H3,(H,23,24);1-4H.
What are the key properties of N-[5-chloro-6-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-1,2-benzoxazol-3-yl]-2-methoxyethanesulfonamide;1,2-dichlorobenzene?
N-[5-chloro-6-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-1,2-benzoxazol-3-yl]-2-methoxyethanesulfonamide;1,2-dichlorobenzene has a molecular weight of 637.37 g/mol, XLogP of 7.28, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-chloro-6-[(5-chloro-6-propan-2-yloxy-3-pyridinyl)oxymethyl]-1,2-benzoxazol-3-yl]-2-methoxyethanesulfonamide;1,2-dichlorobenzene is sourced from PubChem (CID 144708662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).