N-[4-(cyanomethoxy)phenyl]oxane-4-sulfonamide

C13H16N2O4S — CID 62047896

IUPACN-[4-(cyanomethoxy)phenyl]oxane-4-sulfonamide
SMILESN#CCOc1ccc(NS(=O)(=O)C2CCOCC2)cc1
InChIInChI=1S/C13H16N2O4S/c14-7-10-19-12-3-1-11(2-4-12)15-20(16,17)13-5-8-18-9-6-13/h1-4,13,15H,5-6,8-10H2
InChIKeySREPIZPDBYQMKJ-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.51
Rot. Bonds5

About N-[4-(cyanomethoxy)phenyl]oxane-4-sulfonamide

N-[4-(cyanomethoxy)phenyl]oxane-4-sulfonamide (PubChem CID 62047896) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[4-(cyanomethoxy)phenyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[4-(cyanomethoxy)phenyl]oxane-4-sulfonamide
PubChem CID62047896
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC NameN-[4-(cyanomethoxy)phenyl]oxane-4-sulfonamide
SMILESN#CCOc1ccc(NS(=O)(=O)C2CCOCC2)cc1
InChIInChI=1S/C13H16N2O4S/c14-7-10-19-12-3-1-11(2-4-12)15-20(16,17)13-5-8-18-9-6-13/h1-4,13,15H,5-6,8-10H2
InChIKeySREPIZPDBYQMKJ-UHFFFAOYSA-N
XLogP1.51
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(cyanomethoxy)phenyl]oxane-4-sulfonamide?
The IUPAC name of N-[4-(cyanomethoxy)phenyl]oxane-4-sulfonamide (CID 62047896) is N-[4-(cyanomethoxy)phenyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[4-(cyanomethoxy)phenyl]oxane-4-sulfonamide?
The canonical SMILES for N-[4-(cyanomethoxy)phenyl]oxane-4-sulfonamide is N#CCOc1ccc(NS(=O)(=O)C2CCOCC2)cc1.
What is the InChIKey of N-[4-(cyanomethoxy)phenyl]oxane-4-sulfonamide?
The InChIKey is SREPIZPDBYQMKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c14-7-10-19-12-3-1-11(2-4-12)15-20(16,17)13-5-8-18-9-6-13/h1-4,13,15H,5-6,8-10H2.
What are the key properties of N-[4-(cyanomethoxy)phenyl]oxane-4-sulfonamide?
N-[4-(cyanomethoxy)phenyl]oxane-4-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.51, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyanomethoxy)phenyl]oxane-4-sulfonamide is sourced from PubChem (CID 62047896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).