N-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-5-phenyloxolane-3-carboxamide

C24H22ClFN2O6S — CID 54115933

IUPACN-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-5-phenyloxolane-3-carboxamide
SMILESO=C(C1COC(c2ccccc2)C1)N(O)NS(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C24H22ClFN2O6S/c25-22-13-19(26)7-6-17(22)14-33-20-8-10-21(11-9-20)35(31,32)27-28(30)24(29)18-12-23(34-15-18)16-4-2-1-3-5-16/h1-11,13,18,23,27,30H,12,14-15H2
InChIKeyNKILRDRJTMEKHM-UHFFFAOYSA-N
MW520.97 g/mol
LogP4.25
Rot. Bonds8

About N-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-5-phenyloxolane-3-carboxamide

N-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-5-phenyloxolane-3-carboxamide (PubChem CID 54115933) has the molecular formula C24H22ClFN2O6S and a molecular weight of 520.97 g/mol. Its IUPAC name is N-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-5-phenyloxolane-3-carboxamide.

Molecular Properties

Compound NameN-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-5-phenyloxolane-3-carboxamide
PubChem CID54115933
Molecular FormulaC24H22ClFN2O6S
Molecular Weight520.97 g/mol
Exact Mass520.09
IUPAC NameN-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-5-phenyloxolane-3-carboxamide
SMILESO=C(C1COC(c2ccccc2)C1)N(O)NS(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1
InChIInChI=1S/C24H22ClFN2O6S/c25-22-13-19(26)7-6-17(22)14-33-20-8-10-21(11-9-20)35(31,32)27-28(30)24(29)18-12-23(34-15-18)16-4-2-1-3-5-16/h1-11,13,18,23,27,30H,12,14-15H2
InChIKeyNKILRDRJTMEKHM-UHFFFAOYSA-N
XLogP4.25
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.97
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonylamino]-N,6-dihydroxy-6-methyloxane-3-carboxamide
CID 54063565
N-hydroxy-N-[(4-phenylmethoxyphenyl)sulfonylamino]oxane-4-carboxamide
CID 54208613
1-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]methyl]-2-phenylhydrazine
CID 169385678
4-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-N-methoxyoxane-3-carboxamide
CID 90835457
N-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]-4-methylbenzenesulfonamide
CID 141122633
N-[[4-[2-(4-fluorophenyl)ethoxy]phenyl]sulfonylamino]-N-hydroxyoxane-4-carboxamide
CID 54135148
1-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-2-phenylcyclopropane-1-carboxamide
CID 11785461
cis-(1S,3S)-1-[[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonylamino]-2-methyl-3-phenylcyclopropane-1-carboxylic acid
CID 59692480
[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonylamino] 3-hydroxy-3-methylpiperidine-2-carboxylate
CID 89488584
2-(2-chloro-4-fluorophenyl)-1-(5-methyloxolan-3-yl)ethanone
CID 114967227
2-chloro-1-[(4-ethylphenoxy)methyl]-4-fluorobenzene
CID 60627358
(3aS,7aR)-6-[[4-[(2,5-difluorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxole-5-carboxamide
CID 163772991

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-5-phenyloxolane-3-carboxamide?
The IUPAC name of N-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-5-phenyloxolane-3-carboxamide (CID 54115933) is N-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-5-phenyloxolane-3-carboxamide.
What is the SMILES notation for N-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-5-phenyloxolane-3-carboxamide?
The canonical SMILES for N-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-5-phenyloxolane-3-carboxamide is O=C(C1COC(c2ccccc2)C1)N(O)NS(=O)(=O)c1ccc(OCc2ccc(F)cc2Cl)cc1.
What is the InChIKey of N-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-5-phenyloxolane-3-carboxamide?
The InChIKey is NKILRDRJTMEKHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClFN2O6S/c25-22-13-19(26)7-6-17(22)14-33-20-8-10-21(11-9-20)35(31,32)27-28(30)24(29)18-12-23(34-15-18)16-4-2-1-3-5-16/h1-11,13,18,23,27,30H,12,14-15H2.
What are the key properties of N-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-5-phenyloxolane-3-carboxamide?
N-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-5-phenyloxolane-3-carboxamide has a molecular weight of 520.97 g/mol, XLogP of 4.25, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonylamino]-N-hydroxy-5-phenyloxolane-3-carboxamide is sourced from PubChem (CID 54115933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).