(NE)-N-[(4-chlorophenyl)methylidene]methanesulfonamide

C8H8ClNO2S — CID 53343298

IUPAC(NE)-N-[(4-chlorophenyl)methylidene]methanesulfonamide
SMILESCS(=O)(=O)/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNO2S/c1-13(11,12)10-6-7-2-4-8(9)5-3-7/h2-6H,1H3/b10-6+
InChIKeyMXGFSAPDLCDHFA-UXBLZVDNSA-N
MW217.68 g/mol
LogP1.72
Rot. Bonds2

About (NE)-N-[(4-chlorophenyl)methylidene]methanesulfonamide

(NE)-N-[(4-chlorophenyl)methylidene]methanesulfonamide (PubChem CID 53343298) has the molecular formula C8H8ClNO2S and a molecular weight of 217.68 g/mol. Its IUPAC name is (NE)-N-[(4-chlorophenyl)methylidene]methanesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(4-chlorophenyl)methylidene]methanesulfonamide
PubChem CID53343298
Molecular FormulaC8H8ClNO2S
Molecular Weight217.68 g/mol
Exact Mass217.00
IUPAC Name(NE)-N-[(4-chlorophenyl)methylidene]methanesulfonamide
SMILESCS(=O)(=O)/N=C/c1ccc(Cl)cc1
InChIInChI=1S/C8H8ClNO2S/c1-13(11,12)10-6-7-2-4-8(9)5-3-7/h2-6H,1H3/b10-6+
InChIKeyMXGFSAPDLCDHFA-UXBLZVDNSA-N
XLogP1.72
TPSA46.50 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.68
LogP ≤ 51.72
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

N-(4-Chlorobenzylidene)-4-methylbenzenesulfonamide
CID 5706324
[(4-Chlorophenyl)methylidene](methyl)amine
CID 11062589
1-(4-chlorophenyl)-N-methylmethanimine oxide
CID 6369182
(NE)-N-[(E)-3-(4-chlorophenyl)-2-methylprop-2-enylidene]hydroxylamine
CID 13634756
[N(E),S(S)]-N-(4-chlorophenyl)methyleneperfluorobutanesulfinamide
CID 138395052
p-Chlorobenzylidene-butyl-amine
CID 300876
(S)-N-[(4-chlorophenyl)methylidene]-1,1,2,2,3,3,4,4,4-nonafluorobutane-1-sulfinamide
CID 125477343
N-[(4-chlorophenyl)methylidene]-4-methylbenzenesulfonamide
CID 2755675
Benzaldehyde, p-chloro-, O-methyloxime
CID 9603418
(NE)-4-chloro-N-[(4-chlorophenyl)methylidene]benzenesulfonamide
CID 19026285
c-(4-chlorophenyl)-N-methyl nitrone
CID 3383081
[(Z)-[chloro(phenyl)methylidene]amino] methanesulfonate
CID 5386156

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(4-chlorophenyl)methylidene]methanesulfonamide?
The IUPAC name of (NE)-N-[(4-chlorophenyl)methylidene]methanesulfonamide (CID 53343298) is (NE)-N-[(4-chlorophenyl)methylidene]methanesulfonamide.
What is the SMILES notation for (NE)-N-[(4-chlorophenyl)methylidene]methanesulfonamide?
The canonical SMILES for (NE)-N-[(4-chlorophenyl)methylidene]methanesulfonamide is CS(=O)(=O)/N=C/c1ccc(Cl)cc1.
What is the InChIKey of (NE)-N-[(4-chlorophenyl)methylidene]methanesulfonamide?
The InChIKey is MXGFSAPDLCDHFA-UXBLZVDNSA-N. The full InChI is InChI=1S/C8H8ClNO2S/c1-13(11,12)10-6-7-2-4-8(9)5-3-7/h2-6H,1H3/b10-6+.
What are the key properties of (NE)-N-[(4-chlorophenyl)methylidene]methanesulfonamide?
(NE)-N-[(4-chlorophenyl)methylidene]methanesulfonamide has a molecular weight of 217.68 g/mol, XLogP of 1.72, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(4-chlorophenyl)methylidene]methanesulfonamide is sourced from PubChem (CID 53343298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).