N,N-dihydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-3-carboxamide

C17H18N2O7S — CID 91183906

IUPACN,N-dihydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-3-carboxamide
SMILESO=C(C1COCCC1S(=O)(=O)c1ccc(Oc2ccncc2)cc1)N(O)O
InChIInChI=1S/C17H18N2O7S/c20-17(19(21)22)15-11-25-10-7-16(15)27(23,24)14-3-1-12(2-4-14)26-13-5-8-18-9-6-13/h1-6,8-9,15-16,21-22H,7,10-11H2
InChIKeyUAGCNJUUWJVZET-UHFFFAOYSA-N
MW394.41 g/mol
LogP1.66
Rot. Bonds5

About N,N-dihydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-3-carboxamide

N,N-dihydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-3-carboxamide (PubChem CID 91183906) has the molecular formula C17H18N2O7S and a molecular weight of 394.41 g/mol. Its IUPAC name is N,N-dihydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-3-carboxamide.

Molecular Properties

Compound NameN,N-dihydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-3-carboxamide
PubChem CID91183906
Molecular FormulaC17H18N2O7S
Molecular Weight394.41 g/mol
Exact Mass394.08
IUPAC NameN,N-dihydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-3-carboxamide
SMILESO=C(C1COCCC1S(=O)(=O)c1ccc(Oc2ccncc2)cc1)N(O)O
InChIInChI=1S/C17H18N2O7S/c20-17(19(21)22)15-11-25-10-7-16(15)27(23,24)14-3-1-12(2-4-14)26-13-5-8-18-9-6-13/h1-6,8-9,15-16,21-22H,7,10-11H2
InChIKeyUAGCNJUUWJVZET-UHFFFAOYSA-N
XLogP1.66
TPSA126.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.41
LogP ≤ 51.66
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,N-dihydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-3-carboxamide?
The IUPAC name of N,N-dihydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-3-carboxamide (CID 91183906) is N,N-dihydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-3-carboxamide.
What is the SMILES notation for N,N-dihydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-3-carboxamide?
The canonical SMILES for N,N-dihydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-3-carboxamide is O=C(C1COCCC1S(=O)(=O)c1ccc(Oc2ccncc2)cc1)N(O)O.
What is the InChIKey of N,N-dihydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-3-carboxamide?
The InChIKey is UAGCNJUUWJVZET-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N2O7S/c20-17(19(21)22)15-11-25-10-7-16(15)27(23,24)14-3-1-12(2-4-14)26-13-5-8-18-9-6-13/h1-6,8-9,15-16,21-22H,7,10-11H2.
What are the key properties of N,N-dihydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-3-carboxamide?
N,N-dihydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-3-carboxamide has a molecular weight of 394.41 g/mol, XLogP of 1.66, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dihydroxy-4-(4-pyridin-4-yloxyphenyl)sulfonyloxane-3-carboxamide is sourced from PubChem (CID 91183906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).