N-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide

C16H24N2O8S2 — CID 20620677

IUPACN-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESCNS(=O)(=O)CCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1
InChIInChI=1S/C16H24N2O8S2/c1-17-27(21,22)12-2-9-26-13-3-5-14(6-4-13)28(23,24)16(15(19)18-20)7-10-25-11-8-16/h3-6,17,20H,2,7-12H2,1H3,(H,18,19)
InChIKeyFJHYURFAJJTPLQ-UHFFFAOYSA-N
MW436.51 g/mol
LogP-0.17
Rot. Bonds9

About N-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide

N-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide (PubChem CID 20620677) has the molecular formula C16H24N2O8S2 and a molecular weight of 436.51 g/mol. Its IUPAC name is N-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
PubChem CID20620677
Molecular FormulaC16H24N2O8S2
Molecular Weight436.51 g/mol
Exact Mass436.10
IUPAC NameN-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide
SMILESCNS(=O)(=O)CCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1
InChIInChI=1S/C16H24N2O8S2/c1-17-27(21,22)12-2-9-26-13-3-5-14(6-4-13)28(23,24)16(15(19)18-20)7-10-25-11-8-16/h3-6,17,20H,2,7-12H2,1H3,(H,18,19)
InChIKeyFJHYURFAJJTPLQ-UHFFFAOYSA-N
XLogP-0.17
TPSA148.10 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.51
LogP ≤ 5-0.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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

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-[3-[[3,3,3-trifluoro-2-methyl-2-(trifluoromethyl)propanoyl]amino]propoxy]phenyl]sulfonyloxane-4-carboxamide
CID 20620304
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
N-hydroxy-4-[4-[4-(4-methoxyphenyl)butyl]phenyl]sulfonyloxane-4-carboxamide
CID 20620689
N-hydroxy-4-[4-[3-(6-propyl-3-pyridinyl)propoxy]phenyl]sulfonyloxane-4-carboxamide;hydrochloride
CID 162309468
N-hydroxy-4-[4-(4-naphthalen-1-yl-4-oxobutoxy)phenyl]sulfonyloxane-4-carboxamide
CID 10207036
4-[4-[4-butoxy-3-(trifluoromethyl)phenyl]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 58623255
N-hydroxy-4-[4-[2-(3-nitrophenoxy)ethoxy]phenyl]sulfonyloxane-4-carboxamide
CID 10412225
4-[4-[3-[(4-cyanobenzoyl)amino]propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620754
4-[4-[3-(3,4-dihydro-2H-quinolin-1-yl)propoxy]phenyl]sulfonyl-N-hydroxyoxane-4-carboxamide
CID 20620474

Frequently Asked Questions

What is the IUPAC name of N-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide?
The IUPAC name of N-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide (CID 20620677) is N-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide.
What is the SMILES notation for N-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide?
The canonical SMILES for N-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide is CNS(=O)(=O)CCCOc1ccc(S(=O)(=O)C2(C(=O)NO)CCOCC2)cc1.
What is the InChIKey of N-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide?
The InChIKey is FJHYURFAJJTPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O8S2/c1-17-27(21,22)12-2-9-26-13-3-5-14(6-4-13)28(23,24)16(15(19)18-20)7-10-25-11-8-16/h3-6,17,20H,2,7-12H2,1H3,(H,18,19).
What are the key properties of N-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide?
N-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide has a molecular weight of 436.51 g/mol, XLogP of -0.17, 9 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-[4-[3-(methylsulfamoyl)propoxy]phenyl]sulfonyloxane-4-carboxamide is sourced from PubChem (CID 20620677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).