2-(benzenesulfonyl)-N-methyl-2-methylsulfonylethenimine

C10H11NO4S2 — CID 101176832

IUPAC2-(benzenesulfonyl)-N-methyl-2-methylsulfonylethenimine
SMILESCN=C=C(S(C)(=O)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H11NO4S2/c1-11-8-10(16(2,12)13)17(14,15)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyTTWLUCRTIIWZQB-UHFFFAOYSA-N
MW273.34 g/mol
LogP0.65
Rot. Bonds3

About 2-(benzenesulfonyl)-N-methyl-2-methylsulfonylethenimine

2-(benzenesulfonyl)-N-methyl-2-methylsulfonylethenimine (PubChem CID 101176832) has the molecular formula C10H11NO4S2 and a molecular weight of 273.34 g/mol. Its IUPAC name is 2-(benzenesulfonyl)-N-methyl-2-methylsulfonylethenimine.

Molecular Properties

Compound Name2-(benzenesulfonyl)-N-methyl-2-methylsulfonylethenimine
PubChem CID101176832
Molecular FormulaC10H11NO4S2
Molecular Weight273.34 g/mol
Exact Mass273.01
IUPAC Name2-(benzenesulfonyl)-N-methyl-2-methylsulfonylethenimine
SMILESCN=C=C(S(C)(=O)=O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C10H11NO4S2/c1-11-8-10(16(2,12)13)17(14,15)9-6-4-3-5-7-9/h3-7H,1-2H3
InChIKeyTTWLUCRTIIWZQB-UHFFFAOYSA-N
XLogP0.65
TPSA80.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.34
LogP ≤ 50.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Methylthiomethyl phenyl sulfone
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Nsc229494
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2-[[(E)-2-(benzenesulfonyl)ethenyl]sulfonylmethyl]-4,5-dihydro-1,3-thiazole
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4-Isothiocyanatobutylsulfonylbenzene
CID 155520145
Phenylsulfonyl ketenethioacetal
CID 194051
N,N-dimethyl-4-(methylsulfanyl)benzene-1-sulfonamide
CID 967237
Benzene, [[2,2-bis(methylthio)ethenyl]sulfonyl]-
CID 12296879
Methylsulfonyl-(phenylsulfonyl)methane
CID 12557171
Vinylsulfonyl-phenylsulfonyl-methan
CID 23271245
Methylsulfinylmethylsulfonylbenzene
CID 54303492
3-methanesulfonyl-N,N-dimethylbenzene-1-sulfonamide
CID 6462774

Frequently Asked Questions

What is the IUPAC name of 2-(benzenesulfonyl)-N-methyl-2-methylsulfonylethenimine?
The IUPAC name of 2-(benzenesulfonyl)-N-methyl-2-methylsulfonylethenimine (CID 101176832) is 2-(benzenesulfonyl)-N-methyl-2-methylsulfonylethenimine.
What is the SMILES notation for 2-(benzenesulfonyl)-N-methyl-2-methylsulfonylethenimine?
The canonical SMILES for 2-(benzenesulfonyl)-N-methyl-2-methylsulfonylethenimine is CN=C=C(S(C)(=O)=O)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-(benzenesulfonyl)-N-methyl-2-methylsulfonylethenimine?
The InChIKey is TTWLUCRTIIWZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO4S2/c1-11-8-10(16(2,12)13)17(14,15)9-6-4-3-5-7-9/h3-7H,1-2H3.
What are the key properties of 2-(benzenesulfonyl)-N-methyl-2-methylsulfonylethenimine?
2-(benzenesulfonyl)-N-methyl-2-methylsulfonylethenimine has a molecular weight of 273.34 g/mol, XLogP of 0.65, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzenesulfonyl)-N-methyl-2-methylsulfonylethenimine is sourced from PubChem (CID 101176832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).