(NE)-N-[(2,6-dichlorophenyl)methylidene]-4-methoxybenzenesulfonamide

C14H11Cl2NO3S — CID 135079024

IUPAC(NE)-N-[(2,6-dichlorophenyl)methylidene]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=C/c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H11Cl2NO3S/c1-20-10-5-7-11(8-6-10)21(18,19)17-9-12-13(15)3-2-4-14(12)16/h2-9H,1H3/b17-9+
InChIKeyCUUUEYUDYSXHJR-RQZCQDPDSA-N
MW344.22 g/mol
LogP3.81
Rot. Bonds4

About (NE)-N-[(2,6-dichlorophenyl)methylidene]-4-methoxybenzenesulfonamide

(NE)-N-[(2,6-dichlorophenyl)methylidene]-4-methoxybenzenesulfonamide (PubChem CID 135079024) has the molecular formula C14H11Cl2NO3S and a molecular weight of 344.22 g/mol. Its IUPAC name is (NE)-N-[(2,6-dichlorophenyl)methylidene]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name(NE)-N-[(2,6-dichlorophenyl)methylidene]-4-methoxybenzenesulfonamide
PubChem CID135079024
Molecular FormulaC14H11Cl2NO3S
Molecular Weight344.22 g/mol
Exact Mass342.98
IUPAC Name(NE)-N-[(2,6-dichlorophenyl)methylidene]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)/N=C/c2c(Cl)cccc2Cl)cc1
InChIInChI=1S/C14H11Cl2NO3S/c1-20-10-5-7-11(8-6-10)21(18,19)17-9-12-13(15)3-2-4-14(12)16/h2-9H,1H3/b17-9+
InChIKeyCUUUEYUDYSXHJR-RQZCQDPDSA-N
XLogP3.81
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.22
LogP ≤ 53.81
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

N'-[1-(4-chlorophenyl)ethylidene]-4-methoxybenzenesulfonohydrazide
CID 5332734
(4-Methoxyphenyl)sulfonyl 2-(3,5-dichlorophenyl)ethanimidate
CID 134815303
(NE)-4-methoxy-N-[(E)-3-phenylprop-2-enylidene]benzenesulfonamide
CID 11543970
(NE)-N-benzylidene-4-methoxybenzenesulfonamide
CID 12598040
N-[2-(4-chlorophenyl)ethenyl]-N-fluoro-4-methoxybenzenesulfonamide
CID 173031210
(NZ)-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide
CID 5706492
(NE)-4-methoxy-N-[(4-methoxyphenyl)methylidene]benzenesulfonamide
CID 9555326
[N(E)]-N-[(4-Methoxyphenyl)methylene]benzenesulfonamide
CID 9581566
(NE)-4-methoxy-N-[(4-methylphenyl)methylidene]benzenesulfonamide
CID 11208493
(NE)-N-[(4-chlorophenyl)methylidene]-4-methoxybenzenesulfonamide
CID 53375428
N-(2,2-dichloro-2-phenylethylidene)-4-methoxybenzenesulfonamide
CID 133064869
N-[(2e)-3-(4-chlorophenyl)prop-2-en-1-yl]-4-methoxy-N-methylbenzenesulfonamide
CID 134817954

Frequently Asked Questions

What is the IUPAC name of (NE)-N-[(2,6-dichlorophenyl)methylidene]-4-methoxybenzenesulfonamide?
The IUPAC name of (NE)-N-[(2,6-dichlorophenyl)methylidene]-4-methoxybenzenesulfonamide (CID 135079024) is (NE)-N-[(2,6-dichlorophenyl)methylidene]-4-methoxybenzenesulfonamide.
What is the SMILES notation for (NE)-N-[(2,6-dichlorophenyl)methylidene]-4-methoxybenzenesulfonamide?
The canonical SMILES for (NE)-N-[(2,6-dichlorophenyl)methylidene]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)/N=C/c2c(Cl)cccc2Cl)cc1.
What is the InChIKey of (NE)-N-[(2,6-dichlorophenyl)methylidene]-4-methoxybenzenesulfonamide?
The InChIKey is CUUUEYUDYSXHJR-RQZCQDPDSA-N. The full InChI is InChI=1S/C14H11Cl2NO3S/c1-20-10-5-7-11(8-6-10)21(18,19)17-9-12-13(15)3-2-4-14(12)16/h2-9H,1H3/b17-9+.
What are the key properties of (NE)-N-[(2,6-dichlorophenyl)methylidene]-4-methoxybenzenesulfonamide?
(NE)-N-[(2,6-dichlorophenyl)methylidene]-4-methoxybenzenesulfonamide has a molecular weight of 344.22 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (NE)-N-[(2,6-dichlorophenyl)methylidene]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 135079024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).