N-hydroxy-4-[4-(4-naphthalen-1-yl-4-oxobutoxy)phenyl]sulfonyloxane-4-carboxamide

C26H27NO7S — CID 10207036

IUPACN-hydroxy-4-[4-(4-naphthalen-1-yl-4-oxobutoxy)phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(CCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1cccc2ccccc12
InChIInChI=1S/C26H27NO7S/c28-24(23-8-3-6-19-5-1-2-7-22(19)23)9-4-16-34-20-10-12-21(13-11-20)35(31,32)26(25(29)27-30)14-17-33-18-15-26/h1-3,5-8,10-13,30H,4,9,14-18H2,(H,27,29)
InChIKeyBZDMJVXGGLCTDW-UHFFFAOYSA-N
MW497.57 g/mol
LogP3.71
Rot. Bonds9

About N-hydroxy-4-[4-(4-naphthalen-1-yl-4-oxobutoxy)phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-(4-naphthalen-1-yl-4-oxobutoxy)phenyl]sulfonyloxane-4-carboxamide (PubChem CID 10207036) has the molecular formula C26H27NO7S and a molecular weight of 497.57 g/mol. Its IUPAC name is N-hydroxy-4-[4-(4-naphthalen-1-yl-4-oxobutoxy)phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-(4-naphthalen-1-yl-4-oxobutoxy)phenyl]sulfonyloxane-4-carboxamide
PubChem CID10207036
Molecular FormulaC26H27NO7S
Molecular Weight497.57 g/mol
Exact Mass497.15
IUPAC NameN-hydroxy-4-[4-(4-naphthalen-1-yl-4-oxobutoxy)phenyl]sulfonyloxane-4-carboxamide
SMILESO=C(CCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1cccc2ccccc12
InChIInChI=1S/C26H27NO7S/c28-24(23-8-3-6-19-5-1-2-7-22(19)23)9-4-16-34-20-10-12-21(13-11-20)35(31,32)26(25(29)27-30)14-17-33-18-15-26/h1-3,5-8,10-13,30H,4,9,14-18H2,(H,27,29)
InChIKeyBZDMJVXGGLCTDW-UHFFFAOYSA-N
XLogP3.71
TPSA119.00 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 53.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-4-[4-[4-(4-methoxyphenyl)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide
CID 10184126
N-hydroxy-4-[4-(3-oxo-3-phenylpropoxy)phenyl]sulfonyloxane-4-carboxamide
CID 10159973
4-[4-[2-[4-(aminomethyl)phenoxy]ethoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10253230
N-hydroxy-4-[4-[3-(4-methoxyphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620571
N-hydroxy-4-[4-[4-(3-iodoanilino)-4-oxobutoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620705
N-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620677
N-hydroxy-4-[4-[2-(3-nitrophenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxamide
CID 10412225
4-[4-[3-(2,5-dioxo-3-phenylimidazolidin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620402
4-[4-[3-(1,3-benzoxazol-2-ylsulfanyl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 10206781
N-hydroxy-4-[4-[(E)-2-methyl-3-phenylprop-2-enoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620387
N-hydroxy-4-[4-[3-(pyridin-3-ylmethoxy)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
CID 162305150
N-hydroxy-4-[4-[3-(3-pyridin-2-ylphenyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620438

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-(4-naphthalen-1-yl-4-oxobutoxy)phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-(4-naphthalen-1-yl-4-oxobutoxy)phenyl]sulfonyloxane-4-carboxamide (CID 10207036) is N-hydroxy-4-[4-(4-naphthalen-1-yl-4-oxobutoxy)phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-(4-naphthalen-1-yl-4-oxobutoxy)phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-(4-naphthalen-1-yl-4-oxobutoxy)phenyl]sulfonyloxane-4-carboxamide is O=C(CCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1)c1cccc2ccccc12.
What is the InChIKey of N-hydroxy-4-[4-(4-naphthalen-1-yl-4-oxobutoxy)phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is BZDMJVXGGLCTDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27NO7S/c28-24(23-8-3-6-19-5-1-2-7-22(19)23)9-4-16-34-20-10-12-21(13-11-20)35(31,32)26(25(29)27-30)14-17-33-18-15-26/h1-3,5-8,10-13,30H,4,9,14-18H2,(H,27,29).
What are the key properties of N-hydroxy-4-[4-(4-naphthalen-1-yl-4-oxobutoxy)phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-(4-naphthalen-1-yl-4-oxobutoxy)phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 497.57 g/mol, XLogP of 3.71, 9 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-(4-naphthalen-1-yl-4-oxobutoxy)phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 10207036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).