N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide

C21H19ClN2O4S — CID 6294716

IUPACN-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide
SMILESCOc1ccc(/C=N\NS(=O)(=O)c2ccccc2)cc1OCc1ccccc1Cl
InChIInChI=1S/C21H19ClN2O4S/c1-27-20-12-11-16(13-21(20)28-15-17-7-5-6-10-19(17)22)14-23-24-29(25,26)18-8-3-2-4-9-18/h2-14,24H,15H2,1H3/b23-14-
InChIKeyWYCKBLFGZBKSRC-UCQKPKSFSA-N
MW430.91 g/mol
LogP4.24
Rot. Bonds8

About N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide

N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide (PubChem CID 6294716) has the molecular formula C21H19ClN2O4S and a molecular weight of 430.91 g/mol. Its IUPAC name is N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide
PubChem CID6294716
Molecular FormulaC21H19ClN2O4S
Molecular Weight430.91 g/mol
Exact Mass430.08
IUPAC NameN-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide
SMILESCOc1ccc(/C=N\NS(=O)(=O)c2ccccc2)cc1OCc1ccccc1Cl
InChIInChI=1S/C21H19ClN2O4S/c1-27-20-12-11-16(13-21(20)28-15-17-7-5-6-10-19(17)22)14-23-24-29(25,26)18-8-3-2-4-9-18/h2-14,24H,15H2,1H3/b23-14-
InChIKeyWYCKBLFGZBKSRC-UCQKPKSFSA-N
XLogP4.24
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 54.24
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-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 5430799
N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzenesulfonamide
CID 124605419
[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 900207
N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide
CID 110509660
N-[(3-chloro-4-phenylmethoxyphenyl)methylideneamino]benzenesulfonamide
CID 1342169
[4-[(E)-(benzenesulfonylhydrazinylidene)methyl]-2-methoxyphenyl] 2-chlorobenzoate
CID 6908577
N-[(E)-(3-chloro-4,5-dimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 6910107
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]naphthalene-2-sulfonamide
CID 3813802
3-chloro-N-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylaniline
CID 110842449
3-[(2-chlorophenyl)methoxy]-4-methoxybenzaldehyde
CID 3725223
N-[(E)-[4-[(3-chlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]benzenesulfonamide
CID 110509572
[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidenehydrazine
CID 23944748

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide?
The IUPAC name of N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide (CID 6294716) is N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide?
The canonical SMILES for N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide is COc1ccc(/C=N\NS(=O)(=O)c2ccccc2)cc1OCc1ccccc1Cl.
What is the InChIKey of N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide?
The InChIKey is WYCKBLFGZBKSRC-UCQKPKSFSA-N. The full InChI is InChI=1S/C21H19ClN2O4S/c1-27-20-12-11-16(13-21(20)28-15-17-7-5-6-10-19(17)22)14-23-24-29(25,26)18-8-3-2-4-9-18/h2-14,24H,15H2,1H3/b23-14-.
What are the key properties of N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide?
N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide has a molecular weight of 430.91 g/mol, XLogP of 4.24, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 6294716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).