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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Related Compounds

2-(4-(4-(4-Chloro-Phenoxy)-Benzenesulfonyl)-Tetrahydro-Pyran-4-Yl)-N-Hydroxy-Acetamide
CID 5111
(3S,4R)-4-[4-[(4-chlorophenyl)methoxy]phenyl]sulfonyl-N,3-dihydroxyoxane-3-carboxamide
CID 10203714
(3S,4R)-4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N,3-dihydroxyoxane-3-carboxamide
CID 9982414
4-[4-(3-Chloro-benzyloxy)-benzenesulfonyl]-3-hydroxy-tetrahydro-pyran-3-carboxylic acid hydroxyamide
CID 10160545
(3S,4R)-4-[4-[(2-chlorophenyl)methoxy]phenyl]sulfonyl-N,3-dihydroxyoxane-3-carboxamide
CID 10275101
(3S,4R)-4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-3-methoxyoxane-3-carboxamide
CID 44393841
4-[4-(2-Chloro-benzyloxy)-benzenesulfonyl]-3-methoxy-tetrahydro-pyran-3-carboxylic acid hydroxyamide
CID 44393867
(3S,4R)-4-[4-[(2,5-dichlorophenyl)methoxy]phenyl]sulfonyl-N,3-dihydroxyoxane-3-carboxamide
CID 44393910
(3S,4R)-4-[4-[(2,3-dichlorophenyl)methoxy]phenyl]sulfonyl-N,3-dihydroxyoxane-3-carboxamide
CID 44393980
4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N,3-dihydroxyoxane-3-carboxamide
CID 85082338
(3S,4R)-4-[4-[(2,6-dichlorophenyl)methoxy]phenyl]sulfonyl-N,3-dihydroxyoxane-3-carboxamide
CID 44393964
2-[2-[4-(4-chlorophenoxy)phenyl]sulfonyloxan-4-yl]-N-hydroxyacetamide
CID 129729518

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).