4-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-N-methoxyoxane-3-carboxamide

C20H21ClFNO7S — CID 90835457

IUPAC4-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-N-methoxyoxane-3-carboxamide
SMILESCON(O)C(=O)C1COCCC1S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C20H21ClFNO7S/c1-28-23(25)20(24)17-12-29-9-8-19(17)31(26,27)16-6-4-15(5-7-16)30-11-13-2-3-14(22)10-18(13)21/h2-7,10,17,19,25H,8-9,11-12H2,1H3
InChIKeyRUQAMMKFHKYWIV-UHFFFAOYSA-N
MW473.91 g/mol
LogP3.02
Rot. Bonds7

About 4-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-N-methoxyoxane-3-carboxamide

4-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-N-methoxyoxane-3-carboxamide (PubChem CID 90835457) has the molecular formula C20H21ClFNO7S and a molecular weight of 473.91 g/mol. Its IUPAC name is 4-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-N-methoxyoxane-3-carboxamide.

Molecular Properties

Compound Name4-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-N-methoxyoxane-3-carboxamide
PubChem CID90835457
Molecular FormulaC20H21ClFNO7S
Molecular Weight473.91 g/mol
Exact Mass473.07
IUPAC Name4-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-N-methoxyoxane-3-carboxamide
SMILESCON(O)C(=O)C1COCCC1S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C20H21ClFNO7S/c1-28-23(25)20(24)17-12-29-9-8-19(17)31(26,27)16-6-4-15(5-7-16)30-11-13-2-3-14(22)10-18(13)21/h2-7,10,17,19,25H,8-9,11-12H2,1H3
InChIKeyRUQAMMKFHKYWIV-UHFFFAOYSA-N
XLogP3.02
TPSA102.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.91
LogP ≤ 53.02
H-Bond Donors ≤ 51
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-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-N-methoxyoxane-3-carboxamide?
The IUPAC name of 4-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-N-methoxyoxane-3-carboxamide (CID 90835457) is 4-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-N-methoxyoxane-3-carboxamide.
What is the SMILES notation for 4-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-N-methoxyoxane-3-carboxamide?
The canonical SMILES for 4-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-N-methoxyoxane-3-carboxamide is CON(O)C(=O)C1COCCC1S(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1.
What is the InChIKey of 4-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-N-methoxyoxane-3-carboxamide?
The InChIKey is RUQAMMKFHKYWIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClFNO7S/c1-28-23(25)20(24)17-12-29-9-8-19(17)31(26,27)16-6-4-15(5-7-16)30-11-13-2-3-14(22)10-18(13)21/h2-7,10,17,19,25H,8-9,11-12H2,1H3.
What are the key properties of 4-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-N-methoxyoxane-3-carboxamide?
4-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-N-methoxyoxane-3-carboxamide has a molecular weight of 473.91 g/mol, XLogP of 3.02, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-N-methoxyoxane-3-carboxamide is sourced from PubChem (CID 90835457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).