2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide

C22H20ClN3O4S — CID 135916009

IUPAC2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)N/N=C\c1ccccc1O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H20ClN3O4S/c1-16-11-12-18(23)13-20(16)26(31(29,30)19-8-3-2-4-9-19)15-22(28)25-24-14-17-7-5-6-10-21(17)27/h2-14,27H,15H2,1H3,(H,25,28)/b24-14-
InChIKeyOTIYIFOFKNDMEV-OYKKKHCWSA-N
MW457.94 g/mol
LogP3.70
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide

2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide (PubChem CID 135916009) has the molecular formula C22H20ClN3O4S and a molecular weight of 457.94 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
PubChem CID135916009
Molecular FormulaC22H20ClN3O4S
Molecular Weight457.94 g/mol
Exact Mass457.09
IUPAC Name2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
SMILESCc1ccc(Cl)cc1N(CC(=O)N/N=C\c1ccccc1O)S(=O)(=O)c1ccccc1
InChIInChI=1S/C22H20ClN3O4S/c1-16-11-12-18(23)13-20(16)26(31(29,30)19-8-3-2-4-9-19)15-22(28)25-24-14-17-7-5-6-10-21(17)27/h2-14,27H,15H2,1H3,(H,25,28)/b24-14-
InChIKeyOTIYIFOFKNDMEV-OYKKKHCWSA-N
XLogP3.70
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.94
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_phenol_A(479)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(Z)-(2-hydroxyphenyl)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-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 5008415
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(2-hydroxynaphthalen-1-yl)methylideneamino]acetamide
CID 137107508
2-[N-(benzenesulfonyl)-4-methylanilino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135515655
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-(5-chloro-2-methylphenyl)acetamide
CID 51343675
2-[(E)-[[2-(4-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetyl]hydrazinylidene]methyl]benzoic acid
CID 43879462
2-[N-(benzenesulfonyl)-2,5-dimethylanilino]-N-[(Z)-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 98059075
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-butylacetamide
CID 126120768
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]acetic acid
CID 872896
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(Z)-[4-[2-(2-chloroanilino)-2-oxoethoxy]phenyl]methylideneamino]acetamide
CID 126191378
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588805
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-prop-2-enylacetamide
CID 3138947
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(benzylideneamino)acetamide
CID 2716777

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide (CID 135916009) is 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide is Cc1ccc(Cl)cc1N(CC(=O)N/N=C\c1ccccc1O)S(=O)(=O)c1ccccc1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
The InChIKey is OTIYIFOFKNDMEV-OYKKKHCWSA-N. The full InChI is InChI=1S/C22H20ClN3O4S/c1-16-11-12-18(23)13-20(16)26(31(29,30)19-8-3-2-4-9-19)15-22(28)25-24-14-17-7-5-6-10-21(17)27/h2-14,27H,15H2,1H3,(H,25,28)/b24-14-.
What are the key properties of 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide?
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide has a molecular weight of 457.94 g/mol, XLogP of 3.70, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide is sourced from PubChem (CID 135916009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).