N-[(E)-(2-chloro-5-methoxyphenyl)methylideneamino]benzenesulfonamide

C14H13ClN2O3S — CID 25169959

IUPACN-[(E)-(2-chloro-5-methoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(Cl)c(/C=N/NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C14H13ClN2O3S/c1-20-12-7-8-14(15)11(9-12)10-16-17-21(18,19)13-5-3-2-4-6-13/h2-10,17H,1H3/b16-10+
InChIKeyOQEDJTNGMIMFIB-MHWRWJLKSA-N
MW324.79 g/mol
LogP2.66
Rot. Bonds5

About N-[(E)-(2-chloro-5-methoxyphenyl)methylideneamino]benzenesulfonamide

N-[(E)-(2-chloro-5-methoxyphenyl)methylideneamino]benzenesulfonamide (PubChem CID 25169959) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is N-[(E)-(2-chloro-5-methoxyphenyl)methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(E)-(2-chloro-5-methoxyphenyl)methylideneamino]benzenesulfonamide
PubChem CID25169959
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC NameN-[(E)-(2-chloro-5-methoxyphenyl)methylideneamino]benzenesulfonamide
SMILESCOc1ccc(Cl)c(/C=N/NS(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C14H13ClN2O3S/c1-20-12-7-8-14(15)11(9-12)10-16-17-21(18,19)13-5-3-2-4-6-13/h2-10,17H,1H3/b16-10+
InChIKeyOQEDJTNGMIMFIB-MHWRWJLKSA-N
XLogP2.66
TPSA67.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[(2-chloro-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1001980
N-[(E)-(2,4-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 6908544
3,4-dichloro-N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110516191
N-[(2-chlorophenyl)methylideneamino]benzenesulfonamide
CID 1474680
N-[(Z)-(2-chloro-5-nitrophenyl)methylideneamino]benzenesulfonamide
CID 5414600
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]benzenesulfonamide
CID 5387404
N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 6910107
N-[(2-bromo-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1001778
N-[(Z)-(5-chloro-2-hydroxyphenyl)methylideneamino]-4-methoxybenzenesulfonamide
CID 135647548
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-4-ethoxybenzenesulfonamide
CID 110516755
N-[(E)-(2,5-dimethoxyphenyl)methylideneamino]-3,4-dimethylbenzenesulfonamide
CID 110517257
4-methoxy-N-[(Z)-(5-phenyl-1H-pyrazol-4-yl)methylideneamino]benzenesulfonamide
CID 135567679

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2-chloro-5-methoxyphenyl)methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(E)-(2-chloro-5-methoxyphenyl)methylideneamino]benzenesulfonamide (CID 25169959) is N-[(E)-(2-chloro-5-methoxyphenyl)methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(E)-(2-chloro-5-methoxyphenyl)methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(E)-(2-chloro-5-methoxyphenyl)methylideneamino]benzenesulfonamide is COc1ccc(Cl)c(/C=N/NS(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-[(E)-(2-chloro-5-methoxyphenyl)methylideneamino]benzenesulfonamide?
The InChIKey is OQEDJTNGMIMFIB-MHWRWJLKSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-20-12-7-8-14(15)11(9-12)10-16-17-21(18,19)13-5-3-2-4-6-13/h2-10,17H,1H3/b16-10+.
What are the key properties of N-[(E)-(2-chloro-5-methoxyphenyl)methylideneamino]benzenesulfonamide?
N-[(E)-(2-chloro-5-methoxyphenyl)methylideneamino]benzenesulfonamide has a molecular weight of 324.79 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2-chloro-5-methoxyphenyl)methylideneamino]benzenesulfonamide is sourced from PubChem (CID 25169959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).