4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]phenyl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide

C19H22N2O7S — CID 91281007

IUPAC4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]phenyl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide
SMILESCc1cc(Oc2ccc(S(=O)(=O)C3CCOCC3C(=O)N(O)O)cc2)cc(C)n1
InChIInChI=1S/C19H22N2O7S/c1-12-9-15(10-13(2)20-12)28-14-3-5-16(6-4-14)29(25,26)18-7-8-27-11-17(18)19(22)21(23)24/h3-6,9-10,17-18,23-24H,7-8,11H2,1-2H3
InChIKeyJZMHXNXJCSAQSO-UHFFFAOYSA-N
MW422.46 g/mol
LogP2.28
Rot. Bonds5

About 4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]phenyl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide

4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]phenyl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide (PubChem CID 91281007) has the molecular formula C19H22N2O7S and a molecular weight of 422.46 g/mol. Its IUPAC name is 4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]phenyl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide.

Molecular Properties

Compound Name4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]phenyl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide
PubChem CID91281007
Molecular FormulaC19H22N2O7S
Molecular Weight422.46 g/mol
Exact Mass422.11
IUPAC Name4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]phenyl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide
SMILESCc1cc(Oc2ccc(S(=O)(=O)C3CCOCC3C(=O)N(O)O)cc2)cc(C)n1
InChIInChI=1S/C19H22N2O7S/c1-12-9-15(10-13(2)20-12)28-14-3-5-16(6-4-14)29(25,26)18-7-8-27-11-17(18)19(22)21(23)24/h3-6,9-10,17-18,23-24H,7-8,11H2,1-2H3
InChIKeyJZMHXNXJCSAQSO-UHFFFAOYSA-N
XLogP2.28
TPSA126.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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,N-dihydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-3-carboxamide
CID 91183906
N,N-dihydroxy-4-[4-(4-methoxyphenyl)phenyl]sulfonyloxane-3-carboxamide
CID 91170376
N-amino-4-[4-[(4-fluoro-2-methylphenyl)methoxy]phenyl]sulfonyl-N-hydroxyoxane-3-carboxamide
CID 91196880
4-[4-[(2-chloro-4-fluorophenyl)methoxy]phenyl]sulfonyl-N-hydroxy-N-methoxyoxane-3-carboxamide
CID 90835457
N-[4-(4-fluorophenoxy)phenyl]sulfonyl-N-hydroxyoxolane-3-carboxamide
CID 90810397
4-[4-(4-chlorophenyl)piperidin-1-yl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide
CID 90772229
2-(4-methoxyphenyl)sulfonylcyclohexane-1-carboxylic acid
CID 67614163
4-[4-(3-chlorophenyl)piperidin-1-yl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide
CID 91250703
4-[4-[(4-fluorophenyl)methoxy]piperidin-1-yl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide
CID 91003195
4-[4-[(2,4-dichlorophenyl)methoxy]phenyl]sulfonyl-N,N-dihydroxy-2,2-dimethyloxane-3-carboxamide
CID 91118350
6-(4-carboxy-2-methylquinolin-6-yl)oxy-2-methylquinoline-4-carboxylic acid
CID 4639551
[3-[methyl(oxolan-3-yl)amino]quinolin-6-yl] trifluoromethanesulfonate
CID 89443707

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]phenyl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide?
The IUPAC name of 4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]phenyl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide (CID 91281007) is 4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]phenyl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide.
What is the SMILES notation for 4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]phenyl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide?
The canonical SMILES for 4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]phenyl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide is Cc1cc(Oc2ccc(S(=O)(=O)C3CCOCC3C(=O)N(O)O)cc2)cc(C)n1.
What is the InChIKey of 4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]phenyl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide?
The InChIKey is JZMHXNXJCSAQSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O7S/c1-12-9-15(10-13(2)20-12)28-14-3-5-16(6-4-14)29(25,26)18-7-8-27-11-17(18)19(22)21(23)24/h3-6,9-10,17-18,23-24H,7-8,11H2,1-2H3.
What are the key properties of 4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]phenyl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide?
4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]phenyl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide has a molecular weight of 422.46 g/mol, XLogP of 2.28, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(2,6-dimethyl-4-pyridinyl)oxy]phenyl]sulfonyl-N,N-dihydroxyoxane-3-carboxamide is sourced from PubChem (CID 91281007), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).