2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide

C23H22ClN3O4S — CID 137044533

IUPAC2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O
InChIInChI=1S/C23H22ClN3O4S/c1-16-10-12-20(13-11-16)32(30,31)27(19-7-5-6-18(24)14-19)15-23(29)26-25-17(2)21-8-3-4-9-22(21)28/h3-14,28H,15H2,1-2H3,(H,26,29)/b25-17-
InChIKeyZKLKEXQYKMBDDX-UQQQWYQISA-N
MW471.97 g/mol
LogP4.09
Rot. Bonds7

About 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide

2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide (PubChem CID 137044533) has the molecular formula C23H22ClN3O4S and a molecular weight of 471.97 g/mol. Its IUPAC name is 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
PubChem CID137044533
Molecular FormulaC23H22ClN3O4S
Molecular Weight471.97 g/mol
Exact Mass471.10
IUPAC Name2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O
InChIInChI=1S/C23H22ClN3O4S/c1-16-10-12-20(13-11-16)32(30,31)27(19-7-5-6-18(24)14-19)15-23(29)26-25-17(2)21-8-3-4-9-22(21)28/h3-14,28H,15H2,1-2H3,(H,26,29)/b25-17-
InChIKeyZKLKEXQYKMBDDX-UQQQWYQISA-N
XLogP4.09
TPSA99.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.97
LogP ≤ 54.09
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'}

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Related Compounds

2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 137107847
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide
CID 126034155
2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 3943441
2-(N-(3,4-dimethoxyphenyl)sulfonyl-4-methylanilino)-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 3879927
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30170999
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(cycloheptylideneamino)acetamide
CID 1370011
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide
CID 126126072
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 30171025
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
CID 6020021
2-[N-(benzenesulfonyl)-2,3-dimethylanilino]-N-[1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 5015345
N-butyl-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126128117
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(nonan-2-ylideneamino)acetamide
CID 3536506

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The IUPAC name of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide (CID 137044533) is 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(C)cc1)c1ccccc1O.
What is the InChIKey of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
The InChIKey is ZKLKEXQYKMBDDX-UQQQWYQISA-N. The full InChI is InChI=1S/C23H22ClN3O4S/c1-16-10-12-20(13-11-16)32(30,31)27(19-7-5-6-18(24)14-19)15-23(29)26-25-17(2)21-8-3-4-9-22(21)28/h3-14,28H,15H2,1-2H3,(H,26,29)/b25-17-.
What are the key properties of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide?
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide has a molecular weight of 471.97 g/mol, XLogP of 4.09, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide is sourced from PubChem (CID 137044533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).