N-[3-(cyanomethoxy)phenyl]oxane-4-sulfonamide

C13H16N2O4S — CID 62047897

IUPACN-[3-(cyanomethoxy)phenyl]oxane-4-sulfonamide
SMILESN#CCOc1cccc(NS(=O)(=O)C2CCOCC2)c1
InChIInChI=1S/C13H16N2O4S/c14-6-9-19-12-3-1-2-11(10-12)15-20(16,17)13-4-7-18-8-5-13/h1-3,10,13,15H,4-5,7-9H2
InChIKeyOQLYGYUBMPBKGK-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.51
Rot. Bonds5

About N-[3-(cyanomethoxy)phenyl]oxane-4-sulfonamide

N-[3-(cyanomethoxy)phenyl]oxane-4-sulfonamide (PubChem CID 62047897) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-[3-(cyanomethoxy)phenyl]oxane-4-sulfonamide.

Molecular Properties

Compound NameN-[3-(cyanomethoxy)phenyl]oxane-4-sulfonamide
PubChem CID62047897
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC NameN-[3-(cyanomethoxy)phenyl]oxane-4-sulfonamide
SMILESN#CCOc1cccc(NS(=O)(=O)C2CCOCC2)c1
InChIInChI=1S/C13H16N2O4S/c14-6-9-19-12-3-1-2-11(10-12)15-20(16,17)13-4-7-18-8-5-13/h1-3,10,13,15H,4-5,7-9H2
InChIKeyOQLYGYUBMPBKGK-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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Related Compounds

N-[4-(cyanomethoxy)phenyl]oxane-4-sulfonamide
CID 62047896
2-[3-(oxepan-4-ylamino)phenoxy]acetonitrile
CID 65081691
N-[3-(cyanomethoxy)phenyl]-1-cyclohexylmethanesulfonamide
CID 61453579
2-chloro-N-[3-(cyanomethoxy)phenyl]ethanesulfonamide
CID 107651420
N-[3-(2-aminoethoxy)phenyl]cyclopropanesulfonamide
CID 64554905
N-[4-(cyanomethoxy)phenyl]cyclopentanesulfonamide
CID 115606497
2-[3-(oxolan-3-ylmethylamino)phenoxy]acetonitrile
CID 43721253
N-[3-(cyanomethoxy)phenyl]benzenesulfonamide
CID 43369723
N-[3-(hydroxymethyl)phenyl]oxane-4-sulfonamide
CID 55031487
2-[3-[(oxan-4-ylmethylamino)methyl]phenoxy]acetonitrile
CID 63725761
N-[3-(cyanomethoxy)phenyl]bicyclo[3.1.0]hexane-6-carboxamide
CID 79776862
N-[3-(cyanomethoxy)phenyl]piperidine-4-carboxamide
CID 43708772

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyanomethoxy)phenyl]oxane-4-sulfonamide?
The IUPAC name of N-[3-(cyanomethoxy)phenyl]oxane-4-sulfonamide (CID 62047897) is N-[3-(cyanomethoxy)phenyl]oxane-4-sulfonamide.
What is the SMILES notation for N-[3-(cyanomethoxy)phenyl]oxane-4-sulfonamide?
The canonical SMILES for N-[3-(cyanomethoxy)phenyl]oxane-4-sulfonamide is N#CCOc1cccc(NS(=O)(=O)C2CCOCC2)c1.
What is the InChIKey of N-[3-(cyanomethoxy)phenyl]oxane-4-sulfonamide?
The InChIKey is OQLYGYUBMPBKGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c14-6-9-19-12-3-1-2-11(10-12)15-20(16,17)13-4-7-18-8-5-13/h1-3,10,13,15H,4-5,7-9H2.
What are the key properties of N-[3-(cyanomethoxy)phenyl]oxane-4-sulfonamide?
N-[3-(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-[3-(cyanomethoxy)phenyl]oxane-4-sulfonamide is sourced from PubChem (CID 62047897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).