(NE)-N-benzylidenemethanesulfonamide

C8H9NO2S — CID 11084533

IUPAC(NE)-N-benzylidenemethanesulfonamide
SMILESCS(=O)(=O)/N=C/c1ccccc1
InChIInChI=1S/C8H9NO2S/c1-12(10,11)9-7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7+
InChIKeyXZEJJOSUAHELJJ-VQHVLOKHSA-N
MW183.23 g/mol
LogP1.07
Rot. Bonds2

About (NE)-N-benzylidenemethanesulfonamide

(NE)-N-benzylidenemethanesulfonamide (PubChem CID 11084533) has the molecular formula C8H9NO2S and a molecular weight of 183.23 g/mol. Its IUPAC name is (NE)-N-benzylidenemethanesulfonamide.

Molecular Properties

Compound Name(NE)-N-benzylidenemethanesulfonamide
PubChem CID11084533
Molecular FormulaC8H9NO2S
Molecular Weight183.23 g/mol
Exact Mass183.04
IUPAC Name(NE)-N-benzylidenemethanesulfonamide
SMILESCS(=O)(=O)/N=C/c1ccccc1
InChIInChI=1S/C8H9NO2S/c1-12(10,11)9-7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7+
InChIKeyXZEJJOSUAHELJJ-VQHVLOKHSA-N
XLogP1.07
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.23
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

2-(Benzylideneamino)ethanesulfonamide
CID 45483186
N-Benzylidenebenzenesulfonamide
CID 555202
N-Benzylidene-4-methylbenzensulfonamide
CID 2755668
Benzenesulfonamide, N-(phenylmethylene)-
CID 9602006
N'-(1-phenylethylidene)methanesulfonohydrazide
CID 5339778
N'-(1-phenylpropylidene)methanesulfonohydrazide
CID 5333653
1-Hydroxy-2-methylsulfonyl-2,3,1-benzodiazaborinine
CID 44384687
1-Hydroxy-6-methyl-2-methylsulfonyl-2,3,1-benzodiazaborinine
CID 44384686
(NE,R)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]propane-2-sulfinamide
CID 11208178
(NE)-N-[(4-fluorophenyl)methylidene]-2-methylpropane-2-sulfinamide
CID 17748530
(S)-N-benzylidene-2-methylpropane-2-sulfinamide
CID 68520932
(NE)-2-methyl-N-[[4-(trifluoromethyl)phenyl]methylidene]propane-2-sulfinamide
CID 87446436

Frequently Asked Questions

What is the IUPAC name of (NE)-N-benzylidenemethanesulfonamide?
The IUPAC name of (NE)-N-benzylidenemethanesulfonamide (CID 11084533) is (NE)-N-benzylidenemethanesulfonamide.
What is the SMILES notation for (NE)-N-benzylidenemethanesulfonamide?
The canonical SMILES for (NE)-N-benzylidenemethanesulfonamide is CS(=O)(=O)/N=C/c1ccccc1.
What is the InChIKey of (NE)-N-benzylidenemethanesulfonamide?
The InChIKey is XZEJJOSUAHELJJ-VQHVLOKHSA-N. The full InChI is InChI=1S/C8H9NO2S/c1-12(10,11)9-7-8-5-3-2-4-6-8/h2-7H,1H3/b9-7+.
What are the key properties of (NE)-N-benzylidenemethanesulfonamide?
(NE)-N-benzylidenemethanesulfonamide has a molecular weight of 183.23 g/mol, XLogP of 1.07, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-benzylidenemethanesulfonamide is sourced from PubChem (CID 11084533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).