N-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide

C23H21ClN4O7S — CID 43879319

IUPACN-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C23H21ClN4O7S/c1-34-18-10-11-19(21(13-18)35-2)27(36(32,33)22-9-4-3-8-20(22)28(30)31)15-23(29)26-25-14-16-6-5-7-17(24)12-16/h3-14H,15H2,1-2H3,(H,26,29)/b25-14+
InChIKeyZZYPWMRYPAPBOF-AFUMVMLFSA-N
MW532.96 g/mol
LogP3.61
Rot. Bonds10

About N-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide

N-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide (PubChem CID 43879319) has the molecular formula C23H21ClN4O7S and a molecular weight of 532.96 g/mol. Its IUPAC name is N-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
PubChem CID43879319
Molecular FormulaC23H21ClN4O7S
Molecular Weight532.96 g/mol
Exact Mass532.08
IUPAC NameN-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1
InChIInChI=1S/C23H21ClN4O7S/c1-34-18-10-11-19(21(13-18)35-2)27(36(32,33)22-9-4-3-8-20(22)28(30)31)15-23(29)26-25-14-16-6-5-7-17(24)12-16/h3-14H,15H2,1-2H3,(H,26,29)/b25-14+
InChIKeyZZYPWMRYPAPBOF-AFUMVMLFSA-N
XLogP3.61
TPSA140.44 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500532.96
LogP ≤ 53.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-[(E)-(4-propan-2-ylphenyl)methylideneamino]acetamide
CID 43879345
2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-[2-[[2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]ethyl]acetamide
CID 43891797
methyl 2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetate
CID 997555
N-(cyclohexylideneamino)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 28588789
2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-(4-methylphenyl)acetamide
CID 997549
N-(4-bromophenyl)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 43891779
N-benzyl-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 997499
N-[(2R)-butan-2-yl]-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 40631968
N-[2-[(4-chlorophenyl)methylsulfanyl]ethyl]-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 51345118
2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)-N-[2-[[2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetyl]amino]propyl]acetamide
CID 43891798
N-(2-tert-butylsulfanylethyl)-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 3467263
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-[(Z)-(3,4-dichlorophenyl)methylideneamino]acetamide
CID 124544379

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide (CID 43879319) is N-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide is COc1ccc(N(CC(=O)N/N=C/c2cccc(Cl)c2)S(=O)(=O)c2ccccc2[N+](=O)[O-])c(OC)c1.
What is the InChIKey of N-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide?
The InChIKey is ZZYPWMRYPAPBOF-AFUMVMLFSA-N. The full InChI is InChI=1S/C23H21ClN4O7S/c1-34-18-10-11-19(21(13-18)35-2)27(36(32,33)22-9-4-3-8-20(22)28(30)31)15-23(29)26-25-14-16-6-5-7-17(24)12-16/h3-14H,15H2,1-2H3,(H,26,29)/b25-14+.
What are the key properties of N-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide?
N-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide has a molecular weight of 532.96 g/mol, XLogP of 3.61, 10 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(3-chlorophenyl)methylideneamino]-2-(2,4-dimethoxy-N-(2-nitrophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 43879319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).