(NE)-4-methyl-N-(oxan-2-ylidene)benzenesulfonamide

C12H15NO3S — CID 6144298

IUPAC(NE)-4-methyl-N-(oxan-2-ylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C2\CCCCO2)cc1
InChIInChI=1S/C12H15NO3S/c1-10-5-7-11(8-6-10)17(14,15)13-12-4-2-3-9-16-12/h5-8H,2-4,9H2,1H3/b13-12+
InChIKeyZKHXUEGXMLYKSX-OUKQBFOZSA-N
MW253.32 g/mol
LogP2.28
Rot. Bonds2

About (NE)-4-methyl-N-(oxan-2-ylidene)benzenesulfonamide

(NE)-4-methyl-N-(oxan-2-ylidene)benzenesulfonamide (PubChem CID 6144298) has the molecular formula C12H15NO3S and a molecular weight of 253.32 g/mol. Its IUPAC name is (NE)-4-methyl-N-(oxan-2-ylidene)benzenesulfonamide.

Molecular Properties

Compound Name(NE)-4-methyl-N-(oxan-2-ylidene)benzenesulfonamide
PubChem CID6144298
Molecular FormulaC12H15NO3S
Molecular Weight253.32 g/mol
Exact Mass253.08
IUPAC Name(NE)-4-methyl-N-(oxan-2-ylidene)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)/N=C2\CCCCO2)cc1
InChIInChI=1S/C12H15NO3S/c1-10-5-7-11(8-6-10)17(14,15)13-12-4-2-3-9-16-12/h5-8H,2-4,9H2,1H3/b13-12+
InChIKeyZKHXUEGXMLYKSX-OUKQBFOZSA-N
XLogP2.28
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.32
LogP ≤ 52.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Related Compounds

4-methyl-N-(1-methylpiperidin-2-ylidene)benzenesulfonamide
CID 3022075
(NE)-4-methyl-N-(1-propan-2-ylazepan-2-ylidene)benzenesulfonamide
CID 162651850
N-(1-ethylpyrrolidin-2-ylidene)-4-methylbenzenesulfonamide
CID 3079975
N-(2-methoxy-1,3,2lambda5-dioxaphospholan-2-ylidene)-4-methylbenzenesulfonamide
CID 12930637
4-methyl-N-[oxo-[(E)-oxolan-2-ylidenemethyl]-phenyl-λ6-sulfanylidene]benzenesulfonamide
CID 101421504
(NE)-4-methyl-N-(1-prop-2-enylpiperidin-2-ylidene)benzenesulfonamide
CID 44597895
N-(1-benzyl-1λ3-iodinan-2-ylidene)-4-methylbenzenesulfonamide
CID 149251410
bis(4-methylbenzenesulfonic acid);oxane
CID 173435913
(NZ)-N-[(7aR)-6,6-dimethyl-1,5,7,7a-tetrahydropyrrolo[1,2-c][1,3]oxazol-3-ylidene]-4-methylbenzenesulfonamide
CID 139038854
N-[dihydroxy-(4-methylphenyl)-λ4-sulfanyl]cyclopentanimine
CID 123854572
(NE)-4-methyl-N-(4-oxo-5,8-dihydronaphthalen-1-ylidene)benzenesulfonamide
CID 11324451
(NZ)-4-methyl-N-(3-methyl-5-morpholin-4-yl-4-oxocyclohexa-2,5-dien-1-ylidene)benzenesulfonamide
CID 5450853

Frequently Asked Questions

What is the IUPAC name of (NE)-4-methyl-N-(oxan-2-ylidene)benzenesulfonamide?
The IUPAC name of (NE)-4-methyl-N-(oxan-2-ylidene)benzenesulfonamide (CID 6144298) is (NE)-4-methyl-N-(oxan-2-ylidene)benzenesulfonamide.
What is the SMILES notation for (NE)-4-methyl-N-(oxan-2-ylidene)benzenesulfonamide?
The canonical SMILES for (NE)-4-methyl-N-(oxan-2-ylidene)benzenesulfonamide is Cc1ccc(S(=O)(=O)/N=C2\CCCCO2)cc1.
What is the InChIKey of (NE)-4-methyl-N-(oxan-2-ylidene)benzenesulfonamide?
The InChIKey is ZKHXUEGXMLYKSX-OUKQBFOZSA-N. The full InChI is InChI=1S/C12H15NO3S/c1-10-5-7-11(8-6-10)17(14,15)13-12-4-2-3-9-16-12/h5-8H,2-4,9H2,1H3/b13-12+.
What are the key properties of (NE)-4-methyl-N-(oxan-2-ylidene)benzenesulfonamide?
(NE)-4-methyl-N-(oxan-2-ylidene)benzenesulfonamide has a molecular weight of 253.32 g/mol, XLogP of 2.28, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-4-methyl-N-(oxan-2-ylidene)benzenesulfonamide is sourced from PubChem (CID 6144298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).