N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide

C17H19ClN2O6S — CID 110517529

IUPACN-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C/c2ccc(OC)c(OC)c2Cl)cc1OC
InChIInChI=1S/C17H19ClN2O6S/c1-23-13-8-6-12(9-15(13)25-3)27(21,22)20-19-10-11-5-7-14(24-2)17(26-4)16(11)18/h5-10,20H,1-4H3/b19-10+
InChIKeyKFVDUPAXBGVQSJ-VXLYETTFSA-N
MW414.87 g/mol
LogP2.69
Rot. Bonds8

About N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide

N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide (PubChem CID 110517529) has the molecular formula C17H19ClN2O6S and a molecular weight of 414.87 g/mol. Its IUPAC name is N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
PubChem CID110517529
Molecular FormulaC17H19ClN2O6S
Molecular Weight414.87 g/mol
Exact Mass414.07
IUPAC NameN-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N/N=C/c2ccc(OC)c(OC)c2Cl)cc1OC
InChIInChI=1S/C17H19ClN2O6S/c1-23-13-8-6-12(9-15(13)25-3)27(21,22)20-19-10-11-5-7-14(24-2)17(26-4)16(11)18/h5-10,20H,1-4H3/b19-10+
InChIKeyKFVDUPAXBGVQSJ-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

N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516729
3,4-dimethoxy-N-[(E)-(2-methoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517450
N-[(E)-(2-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 135958003
N-[(E)-(2-bromo-3,4-dimethoxyphenyl)methylideneamino]-4-chlorobenzenesulfonamide
CID 110516279
N-[(Z)-1H-indol-3-ylmethylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 135647810
4-bromo-N-[(2,3,4-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 2590678
N-[(Z)-[5-(4-chlorophenyl)-1H-pyrazol-4-yl]methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 135647628
N-[(E)-(3-chloro-4-hydroxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 136873554
N-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1001980
N-[(E)-(4-hydroxy-3,5-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 135873358
3,4-dimethoxy-N-[(E)-(5-methylfuran-2-yl)methylideneamino]benzenesulfonamide
CID 110517456
N-[(E)-(3-bromo-4-methoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide
CID 110517434

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide?
The IUPAC name of N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide (CID 110517529) is N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide.
What is the SMILES notation for N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide?
The canonical SMILES for N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide is COc1ccc(S(=O)(=O)N/N=C/c2ccc(OC)c(OC)c2Cl)cc1OC.
What is the InChIKey of N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide?
The InChIKey is KFVDUPAXBGVQSJ-VXLYETTFSA-N. The full InChI is InChI=1S/C17H19ClN2O6S/c1-23-13-8-6-12(9-15(13)25-3)27(21,22)20-19-10-11-5-7-14(24-2)17(26-4)16(11)18/h5-10,20H,1-4H3/b19-10+.
What are the key properties of N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide?
N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide 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 N-[(E)-(2-chloro-3,4-dimethoxyphenyl)methylideneamino]-3,4-dimethoxybenzenesulfonamide is sourced from PubChem (CID 110517529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).