4-methyl-N-[(E)-oxolan-3-ylmethylideneamino]benzenesulfonamide

C12H16N2O3S — CID 170633196

IUPAC4-methyl-N-[(E)-oxolan-3-ylmethylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/C2CCOC2)cc1
InChIInChI=1S/C12H16N2O3S/c1-10-2-4-12(5-3-10)18(15,16)14-13-8-11-6-7-17-9-11/h2-5,8,11,14H,6-7,9H2,1H3/b13-8+
InChIKeyDAAZXTAIRYVKGZ-MDWZMJQESA-N
MW268.34 g/mol
LogP1.30
Rot. Bonds4

About 4-methyl-N-[(E)-oxolan-3-ylmethylideneamino]benzenesulfonamide

4-methyl-N-[(E)-oxolan-3-ylmethylideneamino]benzenesulfonamide (PubChem CID 170633196) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-methyl-N-[(E)-oxolan-3-ylmethylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[(E)-oxolan-3-ylmethylideneamino]benzenesulfonamide
PubChem CID170633196
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name4-methyl-N-[(E)-oxolan-3-ylmethylideneamino]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N/N=C/C2CCOC2)cc1
InChIInChI=1S/C12H16N2O3S/c1-10-2-4-12(5-3-10)18(15,16)14-13-8-11-6-7-17-9-11/h2-5,8,11,14H,6-7,9H2,1H3/b13-8+
InChIKeyDAAZXTAIRYVKGZ-MDWZMJQESA-N
XLogP1.30
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[(E)-[(4R,5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 11153748
4-methyl-N-[(E)-(1-trimethylsilylcyclopropyl)methylideneamino]benzenesulfonamide
CID 10781288
bromoethene;4-methyl-N-(methylideneamino)benzenesulfonamide
CID 123614271
4-methyl-N-[(E)-[(1S,2R,6R,9S)-4,4,11,11-tetramethyl-3,5,7,10,12-pentaoxatricyclo[7.3.0.02,6]dodecan-8-yl]methylideneamino]benzenesulfonamide
CID 10906038
4-methyl-N-[(Z)-3-methylbut-2-enylideneamino]benzenesulfonamide
CID 101106192
[(4-methylphenyl)sulfonylhydrazinylidene]methanesulfinic acid
CID 162411258
N-[(3,3-dimethoxy-1-methylcyclobutyl)methylideneamino]-4-methylbenzenesulfonamide
CID 172865741
N-[(Z)-1-cyclopropylethylideneamino]-4-methylbenzenesulfonamide
CID 6390629
4-methyl-N-[[(1S,4R,6S,9R)-12-[(4-methylphenyl)sulfonylhydrazinylidene]-5-tetracyclo[7.2.1.04,11.06,10]dodecanylidene]amino]benzenesulfonamide
CID 125034492
4-methyl-N-[(E)-oxan-3-ylideneamino]benzenesulfonamide
CID 5465868
4-methyl-N-(1,3-thiazol-2-ylmethylideneamino)benzenesulfonamide
CID 2825089
N-[(Z)-[2,5-dimethyl-1-[[(2S)-oxolan-2-yl]methyl]pyrrol-3-yl]methylideneamino]-4-methylbenzenesulfonamide
CID 9073392

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(E)-oxolan-3-ylmethylideneamino]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[(E)-oxolan-3-ylmethylideneamino]benzenesulfonamide (CID 170633196) is 4-methyl-N-[(E)-oxolan-3-ylmethylideneamino]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[(E)-oxolan-3-ylmethylideneamino]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[(E)-oxolan-3-ylmethylideneamino]benzenesulfonamide is Cc1ccc(S(=O)(=O)N/N=C/C2CCOC2)cc1.
What is the InChIKey of 4-methyl-N-[(E)-oxolan-3-ylmethylideneamino]benzenesulfonamide?
The InChIKey is DAAZXTAIRYVKGZ-MDWZMJQESA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-10-2-4-12(5-3-10)18(15,16)14-13-8-11-6-7-17-9-11/h2-5,8,11,14H,6-7,9H2,1H3/b13-8+.
What are the key properties of 4-methyl-N-[(E)-oxolan-3-ylmethylideneamino]benzenesulfonamide?
4-methyl-N-[(E)-oxolan-3-ylmethylideneamino]benzenesulfonamide has a molecular weight of 268.34 g/mol, XLogP of 1.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(E)-oxolan-3-ylmethylideneamino]benzenesulfonamide is sourced from PubChem (CID 170633196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).