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

C22H21ClN2O4S — CID 5430799

IUPACN-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
SMILESCOc1ccc(/C=N\NS(=O)(=O)c2ccc(C)cc2)cc1OCc1ccccc1Cl
InChIInChI=1S/C22H21ClN2O4S/c1-16-7-10-19(11-8-16)30(26,27)25-24-14-17-9-12-21(28-2)22(13-17)29-15-18-5-3-4-6-20(18)23/h3-14,25H,15H2,1-2H3/b24-14-
InChIKeyKQHLPEUTWUEJFC-OYKKKHCWSA-N
MW444.94 g/mol
LogP4.55
Rot. Bonds8

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

N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide (PubChem CID 5430799) has the molecular formula C22H21ClN2O4S and a molecular weight of 444.94 g/mol. Its IUPAC name is N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
PubChem CID5430799
Molecular FormulaC22H21ClN2O4S
Molecular Weight444.94 g/mol
Exact Mass444.09
IUPAC NameN-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
SMILESCOc1ccc(/C=N\NS(=O)(=O)c2ccc(C)cc2)cc1OCc1ccccc1Cl
InChIInChI=1S/C22H21ClN2O4S/c1-16-7-10-19(11-8-16)30(26,27)25-24-14-17-9-12-21(28-2)22(13-17)29-15-18-5-3-4-6-20(18)23/h3-14,25H,15H2,1-2H3/b24-14-
InChIKeyKQHLPEUTWUEJFC-OYKKKHCWSA-N
XLogP4.55
TPSA76.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.94
LogP ≤ 54.55
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]benzenesulfonamide
CID 6294716
N-[(Z)-(3-ethoxy-4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 5415311
N-[(E)-(3-chloro-4-methoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 6872847
N-[(E)-[4-[(2,4-dichlorophenyl)methoxy]-3-ethoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 6872725
N-[(Z)-[4-[(4-chlorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide
CID 6248419
[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]urea
CID 900207
4-ethoxy-N-[(E)-[4-methoxy-3-[(4-methylphenyl)methoxy]phenyl]methylideneamino]benzenesulfonamide
CID 110516660
N-[(Z)-[4-[(2-fluorophenyl)methoxy]-3-methoxyphenyl]methylideneamino]benzenesulfonamide
CID 124605419
N-[(Z)-(3-methoxy-4-prop-2-enoxyphenyl)methylideneamino]-4-methylbenzenesulfonamide
CID 9073657
3-chloro-N-[[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylaniline
CID 110842449
N-[(E)-(4-methoxy-3-propoxyphenyl)methylideneamino]benzenesulfonamide
CID 110509660
N-[(4-methoxy-3-phenylmethoxyphenyl)methylideneamino]naphthalene-2-sulfonamide
CID 3813802

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide?
The IUPAC name of N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide (CID 5430799) is N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide.
What is the SMILES notation for N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide?
The canonical SMILES for N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide is COc1ccc(/C=N\NS(=O)(=O)c2ccc(C)cc2)cc1OCc1ccccc1Cl.
What is the InChIKey of N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide?
The InChIKey is KQHLPEUTWUEJFC-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H21ClN2O4S/c1-16-7-10-19(11-8-16)30(26,27)25-24-14-17-9-12-21(28-2)22(13-17)29-15-18-5-3-4-6-20(18)23/h3-14,25H,15H2,1-2H3/b24-14-.
What are the key properties of N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide?
N-[(Z)-[3-[(2-chlorophenyl)methoxy]-4-methoxyphenyl]methylideneamino]-4-methylbenzenesulfonamide has a molecular weight of 444.94 g/mol, XLogP of 4.55, 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]-4-methylbenzenesulfonamide is sourced from PubChem (CID 5430799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).