2,5-dichloro-N-[(Z)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]benzenesulfonamide

C19H21Cl2N3O4S — CID 23095152

IUPAC2,5-dichloro-N-[(Z)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]benzenesulfonamide
SMILESCOc1ccc(/C=N\NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1CN1CCOCC1
InChIInChI=1S/C19H21Cl2N3O4S/c1-27-18-5-2-14(10-15(18)13-24-6-8-28-9-7-24)12-22-23-29(25,26)19-11-16(20)3-4-17(19)21/h2-5,10-12,23H,6-9,13H2,1H3/b22-12-
InChIKeyOOKNANVKDOSBBA-UUYOSTAYSA-N
MW458.37 g/mol
LogP3.15
Rot. Bonds7

About 2,5-dichloro-N-[(Z)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]benzenesulfonamide

2,5-dichloro-N-[(Z)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]benzenesulfonamide (PubChem CID 23095152) has the molecular formula C19H21Cl2N3O4S and a molecular weight of 458.37 g/mol. Its IUPAC name is 2,5-dichloro-N-[(Z)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-N-[(Z)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]benzenesulfonamide
PubChem CID23095152
Molecular FormulaC19H21Cl2N3O4S
Molecular Weight458.37 g/mol
Exact Mass457.06
IUPAC Name2,5-dichloro-N-[(Z)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]benzenesulfonamide
SMILESCOc1ccc(/C=N\NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1CN1CCOCC1
InChIInChI=1S/C19H21Cl2N3O4S/c1-27-18-5-2-14(10-15(18)13-24-6-8-28-9-7-24)12-22-23-29(25,26)19-11-16(20)3-4-17(19)21/h2-5,10-12,23H,6-9,13H2,1H3/b22-12-
InChIKeyOOKNANVKDOSBBA-UUYOSTAYSA-N
XLogP3.15
TPSA80.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.37
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

2,4,6-trichloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]aniline
CID 3791654
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine chloride
CID 53351457
4-[(5-chloro-2-methoxyphenyl)methyl]morpholine;hydrochloride
CID 16682270
4-chloro-N-[[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-1-methylpyrazole-3-carboxamide
CID 1222812
N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]-2-phenylacetamide
CID 171985779
5-chloro-N-[(E)-(3-chloro-4-ethoxyphenyl)methylideneamino]-2-methoxybenzenesulfonamide
CID 110516997
4-fluoro-N-[[4-methoxy-3-(thiomorpholin-4-ylmethyl)phenyl]methylideneamino]benzenesulfonamide
CID 1007976
2,5-dichloro-N-[[2-(morpholin-4-ylmethyl)phenyl]methyl]benzenesulfonamide
CID 9190612
5-chloro-2-methoxy-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]benzenesulfonamide
CID 110517051
1-(2,5-dichlorophenyl)sulfonyl-4-[(2,5-dimethoxyphenyl)methyl]piperazine
CID 6734604
5-chloro-2-methoxy-N-[(E)-(3,4,5-trimethoxyphenyl)methylideneamino]benzenesulfonamide
CID 110517070
N-[(E)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]pyridine-3-carboxamide
CID 6879261

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-[(Z)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]benzenesulfonamide?
The IUPAC name of 2,5-dichloro-N-[(Z)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]benzenesulfonamide (CID 23095152) is 2,5-dichloro-N-[(Z)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-N-[(Z)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-N-[(Z)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]benzenesulfonamide is COc1ccc(/C=N\NS(=O)(=O)c2cc(Cl)ccc2Cl)cc1CN1CCOCC1.
What is the InChIKey of 2,5-dichloro-N-[(Z)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]benzenesulfonamide?
The InChIKey is OOKNANVKDOSBBA-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O4S/c1-27-18-5-2-14(10-15(18)13-24-6-8-28-9-7-24)12-22-23-29(25,26)19-11-16(20)3-4-17(19)21/h2-5,10-12,23H,6-9,13H2,1H3/b22-12-.
What are the key properties of 2,5-dichloro-N-[(Z)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]benzenesulfonamide?
2,5-dichloro-N-[(Z)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]benzenesulfonamide has a molecular weight of 458.37 g/mol, XLogP of 3.15, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-[(Z)-[4-methoxy-3-(morpholin-4-ylmethyl)phenyl]methylideneamino]benzenesulfonamide is sourced from PubChem (CID 23095152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).