N-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide

C13H16N2O4S — CID 107468277

IUPACN-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide
SMILESCOc1cccc(C#N)c1NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C13H16N2O4S/c1-18-12-4-2-3-10(9-14)13(12)15-20(16,17)11-5-7-19-8-6-11/h2-4,11,15H,5-8H2,1H3
InChIKeyFHFGEBYDSFFVHL-UHFFFAOYSA-N
MW296.35 g/mol
LogP1.49
Rot. Bonds4

About N-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide

N-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide (PubChem CID 107468277) has the molecular formula C13H16N2O4S and a molecular weight of 296.35 g/mol. Its IUPAC name is N-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide.

Molecular Properties

Compound NameN-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide
PubChem CID107468277
Molecular FormulaC13H16N2O4S
Molecular Weight296.35 g/mol
Exact Mass296.08
IUPAC NameN-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide
SMILESCOc1cccc(C#N)c1NS(=O)(=O)C1CCOCC1
InChIInChI=1S/C13H16N2O4S/c1-18-12-4-2-3-10(9-14)13(12)15-20(16,17)11-5-7-19-8-6-11/h2-4,11,15H,5-8H2,1H3
InChIKeyFHFGEBYDSFFVHL-UHFFFAOYSA-N
XLogP1.49
TPSA88.42 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.35
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-cyano-6-methoxyphenyl)propane-2-sulfonamide
CID 107468255
N-(2-cyano-6-methoxyphenyl)oxane-3-carboxamide
CID 107468166
1-cyano-N-(2-cyano-6-methoxyphenyl)ethanesulfonamide
CID 107468261
3-methoxy-2-[(3-methylsulfonylcyclohexyl)amino]benzonitrile
CID 107467482
3-methoxy-2-(oxan-4-yloxy)benzonitrile
CID 117338061
N-(2-cyano-6-methoxyphenyl)-2-fluorobenzenesulfonamide
CID 107467349
3-methoxy-2-[(2-methylsulfonylcyclopentyl)amino]benzonitrile
CID 107466799
N-(2-cyano-6-methoxyphenyl)-2,2,3,3-tetramethylcyclopropane-1-carboxamide
CID 107467908
N-(2-cyano-6-methoxyphenyl)-5-methylthiophene-2-sulfonamide
CID 107468276
N-(2-cyano-6-methoxyphenyl)bicyclo[3.1.0]hexane-3-carboxamide
CID 107467988
N-(2-cyano-6-methoxyphenyl)-3,5-dimethyl-1,2-oxazole-4-sulfonamide
CID 107468239
N-(2-cyano-6-methoxyphenyl)formamide
CID 107468180

Frequently Asked Questions

What is the IUPAC name of N-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide?
The IUPAC name of N-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide (CID 107468277) is N-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide.
What is the SMILES notation for N-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide?
The canonical SMILES for N-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide is COc1cccc(C#N)c1NS(=O)(=O)C1CCOCC1.
What is the InChIKey of N-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide?
The InChIKey is FHFGEBYDSFFVHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2O4S/c1-18-12-4-2-3-10(9-14)13(12)15-20(16,17)11-5-7-19-8-6-11/h2-4,11,15H,5-8H2,1H3.
What are the key properties of N-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide?
N-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide has a molecular weight of 296.35 g/mol, XLogP of 1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyano-6-methoxyphenyl)oxane-4-sulfonamide is sourced from PubChem (CID 107468277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).