5-chloro-N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-2-methoxybenzenesulfonamide

C16H16Cl2N2O4S — CID 110516997

IUPAC5-chloro-N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-2-methoxybenzenesulfonamide
SMILESCCOc1ccc(/C=N/NS(=O)(=O)c2cc(Cl)ccc2OC)cc1Cl
InChIInChI=1S/C16H16Cl2N2O4S/c1-3-24-14-6-4-11(8-13(14)18)10-19-20-25(21,22)16-9-12(17)5-7-15(16)23-2/h4-10,20H,3H2,1-2H3/b19-10+
InChIKeyQOVJKBGCMFDOBK-VXLYETTFSA-N
MW403.29 g/mol
LogP3.71
Rot. Bonds7

About 5-chloro-N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-2-methoxybenzenesulfonamide

5-chloro-N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-2-methoxybenzenesulfonamide (PubChem CID 110516997) has the molecular formula C16H16Cl2N2O4S and a molecular weight of 403.29 g/mol. Its IUPAC name is 5-chloro-N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-2-methoxybenzenesulfonamide
PubChem CID110516997
Molecular FormulaC16H16Cl2N2O4S
Molecular Weight403.29 g/mol
Exact Mass402.02
IUPAC Name5-chloro-N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-2-methoxybenzenesulfonamide
SMILESCCOc1ccc(/C=N/NS(=O)(=O)c2cc(Cl)ccc2OC)cc1Cl
InChIInChI=1S/C16H16Cl2N2O4S/c1-3-24-14-6-4-11(8-13(14)18)10-19-20-25(21,22)16-9-12(17)5-7-15(16)23-2/h4-10,20H,3H2,1-2H3/b19-10+
InChIKeyQOVJKBGCMFDOBK-VXLYETTFSA-N
XLogP3.71
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500403.29
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-2-methoxy-5-methylbenzenesulfonamide
CID 110517954
5-chloro-2-methoxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
CID 110517051
5-chloro-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517070
5-chloro-2-methoxy-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110517026
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516704
3,4-dichloro-N-[(E)-(4-ethoxy-3-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516081
N-[(E)-(3-bromo-5-ethoxy-4-hydroxyphenyl)methylideneamino]-2,5-dichlorobenzenesulfonamide
CID 135688406
5-chloro-2-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
CID 110517043
N-[(E)-(3-chloro-4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6872847
N-[(Z)-(3-chloro-4-methoxyphenyl)methylideneamino]-2-(2,4-dichlorophenoxy)acetamide
CID 7332440
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 5415311
N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-3,4-dimethoxybenzamide
CID 126333569

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-chloro-N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-2-methoxybenzenesulfonamide (CID 110516997) is 5-chloro-N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-chloro-N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-chloro-N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-2-methoxybenzenesulfonamide is CCOc1ccc(/C=N/NS(=O)(=O)c2cc(Cl)ccc2OC)cc1Cl.
What is the InChIKey of 5-chloro-N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-2-methoxybenzenesulfonamide?
The InChIKey is QOVJKBGCMFDOBK-VXLYETTFSA-N. The full InChI is InChI=1S/C16H16Cl2N2O4S/c1-3-24-14-6-4-11(8-13(14)18)10-19-20-25(21,22)16-9-12(17)5-7-15(16)23-2/h4-10,20H,3H2,1-2H3/b19-10+.
What are the key properties of 5-chloro-N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-2-methoxybenzenesulfonamide?
5-chloro-N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-2-methoxybenzenesulfonamide has a molecular weight of 403.29 g/mol, XLogP of 3.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 110516997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).