2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]acetamide

C23H20Cl3N3O3S — CID 6017448

IUPAC2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H20Cl3N3O3S/c1-15-8-10-18(13-21(15)25)29(33(31,32)19-6-4-3-5-7-19)14-23(30)28-27-16(2)17-9-11-20(24)22(26)12-17/h3-13H,14H2,1-2H3,(H,28,30)/b27-16-
InChIKeyMJMNVIVFAIUPAV-YUMHPJSZSA-N
MW524.86 g/mol
LogP5.69
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]acetamide

2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]acetamide (PubChem CID 6017448) has the molecular formula C23H20Cl3N3O3S and a molecular weight of 524.86 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]acetamide
PubChem CID6017448
Molecular FormulaC23H20Cl3N3O3S
Molecular Weight524.86 g/mol
Exact Mass523.03
IUPAC Name2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]acetamide
SMILESC/C(=N/NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1
InChIInChI=1S/C23H20Cl3N3O3S/c1-15-8-10-18(13-21(15)25)29(33(31,32)19-6-4-3-5-7-19)14-23(30)28-27-16(2)17-9-11-20(24)22(26)12-17/h3-13H,14H2,1-2H3,(H,28,30)/b27-16-
InChIKeyMJMNVIVFAIUPAV-YUMHPJSZSA-N
XLogP5.69
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500524.86
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(E)-1-phenylethylideneamino]acetamide
CID 43879032
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(propan-2-ylideneamino)acetamide
CID 28588551
2-[N-(benzenesulfonyl)-3,4-dimethylanilino]-N-[(Z)-1-(4-fluorophenyl)ethylideneamino]acetamide
CID 6157928
2-(3-chloro-4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 137107847
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(2,5-dimethylphenyl)acetamide
CID 2889396
4-[[2-[N-(benzenesulfonyl)-3,4-dichloroanilino]acetyl]amino]benzoic acid
CID 1267410
N-[3-[(Z)-N-[[2-(N-(4-chlorophenyl)sulfonyl-3,4-dimethylanilino)acetyl]amino]-C-methylcarbonimidoyl]phenyl]benzamide
CID 126121374
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
CID 6020021
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-(3,4-dimethylphenyl)acetamide
CID 30170238
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(R)-(4-methylphenyl)-phenylmethyl]acetamide
CID 30305246
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(S)-(2-methylphenyl)-phenylmethyl]acetamide
CID 30305238
2-[N-(benzenesulfonyl)-4-methoxyanilino]-N-[(E)-1-phenylethylideneamino]acetamide
CID 5340275

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]acetamide (CID 6017448) is 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]acetamide is C/C(=N/NC(=O)CN(c1ccc(C)c(Cl)c1)S(=O)(=O)c1ccccc1)c1ccc(Cl)c(Cl)c1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]acetamide?
The InChIKey is MJMNVIVFAIUPAV-YUMHPJSZSA-N. The full InChI is InChI=1S/C23H20Cl3N3O3S/c1-15-8-10-18(13-21(15)25)29(33(31,32)19-6-4-3-5-7-19)14-23(30)28-27-16(2)17-9-11-20(24)22(26)12-17/h3-13H,14H2,1-2H3,(H,28,30)/b27-16-.
What are the key properties of 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]acetamide?
2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]acetamide has a molecular weight of 524.86 g/mol, XLogP of 5.69, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3-chloro-4-methylanilino]-N-[(Z)-1-(3,4-dichlorophenyl)ethylideneamino]acetamide is sourced from PubChem (CID 6017448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).