N-hydroxy-4-(4-methoxyphenyl)sulfonylmorpholine-3-carboxamide

C12H16N2O6S — CID 10805349

IUPACN-hydroxy-4-(4-methoxyphenyl)sulfonylmorpholine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2C(=O)NO)cc1
InChIInChI=1S/C12H16N2O6S/c1-19-9-2-4-10(5-3-9)21(17,18)14-6-7-20-8-11(14)12(15)13-16/h2-5,11,16H,6-8H2,1H3,(H,13,15)
InChIKeySSVAOOCBANMUMS-UHFFFAOYSA-N
MW316.34 g/mol
LogP-0.41
Rot. Bonds4

About N-hydroxy-4-(4-methoxyphenyl)sulfonylmorpholine-3-carboxamide

N-hydroxy-4-(4-methoxyphenyl)sulfonylmorpholine-3-carboxamide (PubChem CID 10805349) has the molecular formula C12H16N2O6S and a molecular weight of 316.34 g/mol. Its IUPAC name is N-hydroxy-4-(4-methoxyphenyl)sulfonylmorpholine-3-carboxamide.

Molecular Properties

Compound NameN-hydroxy-4-(4-methoxyphenyl)sulfonylmorpholine-3-carboxamide
PubChem CID10805349
Molecular FormulaC12H16N2O6S
Molecular Weight316.34 g/mol
Exact Mass316.07
IUPAC NameN-hydroxy-4-(4-methoxyphenyl)sulfonylmorpholine-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)N2CCOCC2C(=O)NO)cc1
InChIInChI=1S/C12H16N2O6S/c1-19-9-2-4-10(5-3-9)21(17,18)14-6-7-20-8-11(14)12(15)13-16/h2-5,11,16H,6-8H2,1H3,(H,13,15)
InChIKeySSVAOOCBANMUMS-UHFFFAOYSA-N
XLogP-0.41
TPSA105.17 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.34
LogP ≤ 5-0.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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-methoxyphenyl)sulfonylmorpholine-3-carboxamide?
The IUPAC name of N-hydroxy-4-(4-methoxyphenyl)sulfonylmorpholine-3-carboxamide (CID 10805349) is N-hydroxy-4-(4-methoxyphenyl)sulfonylmorpholine-3-carboxamide.
What is the SMILES notation for N-hydroxy-4-(4-methoxyphenyl)sulfonylmorpholine-3-carboxamide?
The canonical SMILES for N-hydroxy-4-(4-methoxyphenyl)sulfonylmorpholine-3-carboxamide is COc1ccc(S(=O)(=O)N2CCOCC2C(=O)NO)cc1.
What is the InChIKey of N-hydroxy-4-(4-methoxyphenyl)sulfonylmorpholine-3-carboxamide?
The InChIKey is SSVAOOCBANMUMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O6S/c1-19-9-2-4-10(5-3-9)21(17,18)14-6-7-20-8-11(14)12(15)13-16/h2-5,11,16H,6-8H2,1H3,(H,13,15).
What are the key properties of N-hydroxy-4-(4-methoxyphenyl)sulfonylmorpholine-3-carboxamide?
N-hydroxy-4-(4-methoxyphenyl)sulfonylmorpholine-3-carboxamide has a molecular weight of 316.34 g/mol, XLogP of -0.41, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hydroxy-4-(4-methoxyphenyl)sulfonylmorpholine-3-carboxamide is sourced from PubChem (CID 10805349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).