4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N,N-dihydroxy-2,2-dimethyloxane-3-carboxamide

C21H23Cl2NO7S — CID 91118350

IUPAC4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N,N-dihydroxy-2,2-dimethyloxane-3-carboxamide
SMILESCC1(C)OCCC(S(=O)(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1C(=O)N(O)O
InChIInChI=1S/C21H23Cl2NO7S/c1-21(2)19(20(25)24(26)27)18(9-10-31-21)32(28,29)16-7-5-15(6-8-16)30-12-13-3-4-14(22)11-17(13)23/h3-8,11,18-19,26-27H,9-10,12H2,1-2H3
InChIKeyQWYYZCZOGJSVGH-UHFFFAOYSA-N
MW504.39 g/mol
LogP4.14
Rot. Bonds6

About 4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N,N-dihydroxy-2,2-dimethyloxane-3-carboxamide

4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N,N-dihydroxy-2,2-dimethyloxane-3-carboxamide (PubChem CID 91118350) has the molecular formula C21H23Cl2NO7S and a molecular weight of 504.39 g/mol. Its IUPAC name is 4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N,N-dihydroxy-2,2-dimethyloxane-3-carboxamide.

Molecular Properties

Compound Name4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N,N-dihydroxy-2,2-dimethyloxane-3-carboxamide
PubChem CID91118350
Molecular FormulaC21H23Cl2NO7S
Molecular Weight504.39 g/mol
Exact Mass503.06
IUPAC Name4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N,N-dihydroxy-2,2-dimethyloxane-3-carboxamide
SMILESCC1(C)OCCC(S(=O)(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1C(=O)N(O)O
InChIInChI=1S/C21H23Cl2NO7S/c1-21(2)19(20(25)24(26)27)18(9-10-31-21)32(28,29)16-7-5-15(6-8-16)30-12-13-3-4-14(22)11-17(13)23/h3-8,11,18-19,26-27H,9-10,12H2,1-2H3
InChIKeyQWYYZCZOGJSVGH-UHFFFAOYSA-N
XLogP4.14
TPSA113.37 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.39
LogP ≤ 54.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N,N-dihydroxy-2,2-dimethyloxane-3-carboxamide?
The IUPAC name of 4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N,N-dihydroxy-2,2-dimethyloxane-3-carboxamide (CID 91118350) is 4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N,N-dihydroxy-2,2-dimethyloxane-3-carboxamide.
What is the SMILES notation for 4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N,N-dihydroxy-2,2-dimethyloxane-3-carboxamide?
The canonical SMILES for 4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N,N-dihydroxy-2,2-dimethyloxane-3-carboxamide is CC1(C)OCCC(S(=O)(=O)c2ccc(OCc3ccc(Cl)cc3Cl)cc2)C1C(=O)N(O)O.
What is the InChIKey of 4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N,N-dihydroxy-2,2-dimethyloxane-3-carboxamide?
The InChIKey is QWYYZCZOGJSVGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23Cl2NO7S/c1-21(2)19(20(25)24(26)27)18(9-10-31-21)32(28,29)16-7-5-15(6-8-16)30-12-13-3-4-14(22)11-17(13)23/h3-8,11,18-19,26-27H,9-10,12H2,1-2H3.
What are the key properties of 4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N,N-dihydroxy-2,2-dimethyloxane-3-carboxamide?
4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N,N-dihydroxy-2,2-dimethyloxane-3-carboxamide has a molecular weight of 504.39 g/mol, XLogP of 4.14, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N,N-dihydroxy-2,2-dimethyloxane-3-carboxamide is sourced from PubChem (CID 91118350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).