N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride

C24H26ClN3O6S — CID 158492854

IUPACN-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
SMILESCOc1ccc(Cc2cnc(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)cn2)cc1.Cl
InChIInChI=1S/C24H25N3O6S.ClH/c1-32-20-6-2-17(3-7-20)14-19-15-26-22(16-25-19)18-4-8-21(9-5-18)34(30,31)24(23(28)27-29)10-12-33-13-11-24;/h2-9,15-16,29H,10-14H2,1H3,(H,27,28);1H
InChIKeyRZMPJQJBNHEAOE-UHFFFAOYSA-N
MW520.01 g/mol
LogP2.99
Rot. Bonds7

About N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride

N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride (PubChem CID 158492854) has the molecular formula C24H26ClN3O6S and a molecular weight of 520.01 g/mol. Its IUPAC name is N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
PubChem CID158492854
Molecular FormulaC24H26ClN3O6S
Molecular Weight520.01 g/mol
Exact Mass519.12
IUPAC NameN-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
SMILESCOc1ccc(Cc2cnc(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)cn2)cc1.Cl
InChIInChI=1S/C24H25N3O6S.ClH/c1-32-20-6-2-17(3-7-20)14-19-15-26-22(16-25-19)18-4-8-21(9-5-18)34(30,31)24(23(28)27-29)10-12-33-13-11-24;/h2-9,15-16,29H,10-14H2,1H3,(H,27,28);1H
InChIKeyRZMPJQJBNHEAOE-UHFFFAOYSA-N
XLogP2.99
TPSA127.71 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.01
LogP ≤ 52.99
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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Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride?
The IUPAC name of N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride (CID 158492854) is N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride.
What is the SMILES notation for N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride?
The canonical SMILES for N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride is COc1ccc(Cc2cnc(-c3ccc(S(=O)(=O)C4(C(=O)NO)CCOCC4)cc3)cn2)cc1.Cl.
What is the InChIKey of N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride?
The InChIKey is RZMPJQJBNHEAOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O6S.ClH/c1-32-20-6-2-17(3-7-20)14-19-15-26-22(16-25-19)18-4-8-21(9-5-18)34(30,31)24(23(28)27-29)10-12-33-13-11-24;/h2-9,15-16,29H,10-14H2,1H3,(H,27,28);1H.
What are the key properties of N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride?
N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride has a molecular weight of 520.01 g/mol, XLogP of 2.99, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[5-[(4-methoxyphenyl)methyl]pyrazin-2-yl]phenyl]sulfonyloxane-4-carboxamide;hydrochloride is sourced from PubChem (CID 158492854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).