5-chloro-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide

C17H19ClN2O6S — CID 110517070

IUPAC5-chloro-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C17H19ClN2O6S/c1-23-13-6-5-12(18)9-16(13)27(21,22)20-19-10-11-7-14(24-2)17(26-4)15(8-11)25-3/h5-10,20H,1-4H3/b19-10+
InChIKeyUXJFHVYFIZEMIZ-VXLYETTFSA-N
MW414.87 g/mol
LogP2.69
Rot. Bonds8

About 5-chloro-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide

5-chloro-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 110517070) has the molecular formula C17H19ClN2O6S and a molecular weight of 414.87 g/mol. Its IUPAC name is 5-chloro-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID110517070
Molecular FormulaC17H19ClN2O6S
Molecular Weight414.87 g/mol
Exact Mass414.07
IUPAC Name5-chloro-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(Cl)cc1S(=O)(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1
InChIInChI=1S/C17H19ClN2O6S/c1-23-13-6-5-12(18)9-16(13)27(21,22)20-19-10-11-7-14(24-2)17(26-4)15(8-11)25-3/h5-10,20H,1-4H3/b19-10+
InChIKeyUXJFHVYFIZEMIZ-VXLYETTFSA-N
XLogP2.69
TPSA95.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.87
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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

5-chloro-2-methoxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
CID 110517051
5-chloro-N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-2-methoxybenzenesulfonamide
CID 110516997
5-chloro-2-methoxy-N-[(E)-(2-methylphenyl)methylideneamino]benzenesulfonamide
CID 110517043
5-chloro-2-methoxy-N-[(E)-[4-(2-methylpropoxy)phenyl]methylideneamino]benzenesulfonamide
CID 110517026
N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 6910107
4-bromo-N-[(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2692993
N-[(E)-(3,5-dichloro-4-propan-2-yloxyphenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516571
CID 70601990
CID 70601990
5-chloro-N-hydroxy-2-methoxybenzenesulfonamide
CID 82083952
5-chloro-2-methoxy-N-[(E)-[2-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516949
N-[(E)-(4-bromophenyl)methylideneamino]-2,5-dimethoxybenzenesulfonamide
CID 110516627
2,5-dimethoxy-N-[(E)-(2,3,6-trichlorophenyl)methylideneamino]benzenesulfonamide
CID 110516624

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of 5-chloro-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide (CID 110517070) is 5-chloro-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for 5-chloro-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for 5-chloro-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide is COc1ccc(Cl)cc1S(=O)(=O)N/N=C/c1cc(OC)c(OC)c(OC)c1.
What is the InChIKey of 5-chloro-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is UXJFHVYFIZEMIZ-VXLYETTFSA-N. The full InChI is InChI=1S/C17H19ClN2O6S/c1-23-13-6-5-12(18)9-16(13)27(21,22)20-19-10-11-7-14(24-2)17(26-4)15(8-11)25-3/h5-10,20H,1-4H3/b19-10+.
What are the key properties of 5-chloro-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide?
5-chloro-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 414.87 g/mol, XLogP of 2.69, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 110517070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).