2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide

C22H18Cl3N3O4S — CID 126140562

IUPAC2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H18Cl3N3O4S/c1-32-18-6-8-19(9-7-18)33(30,31)28(17-4-2-3-16(23)12-17)14-22(29)27-26-13-15-5-10-20(24)21(25)11-15/h2-13H,14H2,1H3,(H,27,29)/b26-13-
InChIKeyOMFBQIRBPRHONR-ZMFRSBBQSA-N
MW526.83 g/mol
LogP5.00
Rot. Bonds8

About 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide

2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide (PubChem CID 126140562) has the molecular formula C22H18Cl3N3O4S and a molecular weight of 526.83 g/mol. Its IUPAC name is 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
PubChem CID126140562
Molecular FormulaC22H18Cl3N3O4S
Molecular Weight526.83 g/mol
Exact Mass525.01
IUPAC Name2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
SMILESCOc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)c2cccc(Cl)c2)cc1
InChIInChI=1S/C22H18Cl3N3O4S/c1-32-18-6-8-19(9-7-18)33(30,31)28(17-4-2-3-16(23)12-17)14-22(29)27-26-13-15-5-10-20(24)21(25)11-15/h2-13H,14H2,1H3,(H,27,29)/b26-13-
InChIKeyOMFBQIRBPRHONR-ZMFRSBBQSA-N
XLogP5.00
TPSA88.07 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500526.83
LogP ≤ 55.00
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'}

Analyze 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(3-methoxyphenyl)methylideneamino]acetamide
CID 126131461
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126125629
N-[(Z)-(3-bromophenyl)methylideneamino]-2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 126125145
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 126153493
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-[4-(naphthalen-2-ylmethoxy)phenyl]methylideneamino]acetamide
CID 126143655
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-[1-(3,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 126137020
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(2-chloro-7-methoxyquinolin-3-yl)methylideneamino]acetamide
CID 126136011
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-[1-(3-chlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 126121826
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-[(Z)-(4-propoxyphenyl)methylideneamino]acetamide
CID 126031965
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide
CID 126126072
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 124544379
methyl 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)acetate
CID 27014139

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide?
The IUPAC name of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide (CID 126140562) is 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide?
The canonical SMILES for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide is COc1ccc(S(=O)(=O)N(CC(=O)N/N=C\c2ccc(Cl)c(Cl)c2)c2cccc(Cl)c2)cc1.
What is the InChIKey of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide?
The InChIKey is OMFBQIRBPRHONR-ZMFRSBBQSA-N. The full InChI is InChI=1S/C22H18Cl3N3O4S/c1-32-18-6-8-19(9-7-18)33(30,31)28(17-4-2-3-16(23)12-17)14-22(29)27-26-13-15-5-10-20(24)21(25)11-15/h2-13H,14H2,1H3,(H,27,29)/b26-13-.
What are the key properties of 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide?
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide has a molecular weight of 526.83 g/mol, XLogP of 5.00, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide is sourced from PubChem (CID 126140562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).