N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide

C18H20ClN3O4S — CID 8826350

IUPACN-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide
SMILESCOc1ccc(Cl)cc1/C(C)=N\NC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H20ClN3O4S/c1-12(16-11-14(19)8-9-17(16)26-4)20-21-18(23)13-6-5-7-15(10-13)27(24,25)22(2)3/h5-11H,1-4H3,(H,21,23)/b20-12-
InChIKeyHIHVDYVPPFAFID-NDENLUEZSA-N
MW409.90 g/mol
LogP2.75
Rot. Bonds6

About N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide

N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide (PubChem CID 8826350) has the molecular formula C18H20ClN3O4S and a molecular weight of 409.90 g/mol. Its IUPAC name is N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide
PubChem CID8826350
Molecular FormulaC18H20ClN3O4S
Molecular Weight409.90 g/mol
Exact Mass409.09
IUPAC NameN-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide
SMILESCOc1ccc(Cl)cc1/C(C)=N\NC(=O)c1cccc(S(=O)(=O)N(C)C)c1
InChIInChI=1S/C18H20ClN3O4S/c1-12(16-11-14(19)8-9-17(16)26-4)20-21-18(23)13-6-5-7-15(10-13)27(24,25)22(2)3/h5-11H,1-4H3,(H,21,23)/b20-12-
InChIKeyHIHVDYVPPFAFID-NDENLUEZSA-N
XLogP2.75
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.90
LogP ≤ 52.75
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)-1-(2,5-dimethylphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 9359863
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-hydroxybenzamide
CID 8826111
N-[(E)-1-(2,5-dichlorophenyl)ethylideneamino]-3,4-dimethoxybenzamide
CID 55353185
N-[(E)-1-(5-chloro-2-hydroxyphenyl)ethylideneamino]-3-ethylsulfonylbenzamide
CID 136994938
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-2-methylbenzamide
CID 8862909
N-[(Z)-(2,4-dichlorophenyl)methylideneamino]-3-(dimethylsulfamoyl)benzamide
CID 9359899
3-(dimethylsulfamoyl)-N-[5-(dimethylsulfamoyl)-2-methoxyphenyl]benzamide
CID 55341476
5-chloro-N-[1-(4-fluorophenyl)ethylideneamino]-2-methoxybenzamide
CID 4550766
(4-chloro-2-methylphenyl) 3-(dimethylsulfamoyl)benzoate
CID 4812815
N-(5-chloro-2-fluorophenyl)-3-(dimethylsulfamoyl)benzamide
CID 2664609
N-(2,5-dimethoxyphenyl)-3-(dimethylsulfamoyl)benzamide
CID 2083463
5-chloro-2-methoxy-N-(propan-2-ylideneamino)benzamide
CID 3614530

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide?
The IUPAC name of N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide (CID 8826350) is N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide.
What is the SMILES notation for N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide?
The canonical SMILES for N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide is COc1ccc(Cl)cc1/C(C)=N\NC(=O)c1cccc(S(=O)(=O)N(C)C)c1.
What is the InChIKey of N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide?
The InChIKey is HIHVDYVPPFAFID-NDENLUEZSA-N. The full InChI is InChI=1S/C18H20ClN3O4S/c1-12(16-11-14(19)8-9-17(16)26-4)20-21-18(23)13-6-5-7-15(10-13)27(24,25)22(2)3/h5-11H,1-4H3,(H,21,23)/b20-12-.
What are the key properties of N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide?
N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide has a molecular weight of 409.90 g/mol, XLogP of 2.75, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-1-(5-chloro-2-methoxyphenyl)ethylideneamino]-3-(dimethylsulfamoyl)benzamide is sourced from PubChem (CID 8826350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).