N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide

C21H16Cl2N4O5S — CID 43879296

IUPACN-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C21H16Cl2N4O5S/c22-17-9-6-10-18(23)16(17)13-24-25-21(28)14-26(15-7-2-1-3-8-15)33(31,32)20-12-5-4-11-19(20)27(29)30/h1-13H,14H2,(H,25,28)/b24-13+
InChIKeySRNIGMTVWOMXMJ-ZMOGYAJESA-N
MW507.36 g/mol
LogP4.25
Rot. Bonds8

About N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide

N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide (PubChem CID 43879296) has the molecular formula C21H16Cl2N4O5S and a molecular weight of 507.36 g/mol. Its IUPAC name is N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
PubChem CID43879296
Molecular FormulaC21H16Cl2N4O5S
Molecular Weight507.36 g/mol
Exact Mass506.02
IUPAC NameN-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
SMILESO=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1c(Cl)cccc1Cl
InChIInChI=1S/C21H16Cl2N4O5S/c22-17-9-6-10-18(23)16(17)13-24-25-21(28)14-26(15-7-2-1-3-8-15)33(31,32)20-12-5-4-11-19(20)27(29)30/h1-13H,14H2,(H,25,28)/b24-13+
InChIKeySRNIGMTVWOMXMJ-ZMOGYAJESA-N
XLogP4.25
TPSA121.98 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500507.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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

N-[(Z)-(4-nitrophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 28588758
4-[(Z)-[[2-(N-(2-nitrophenyl)sulfonylanilino)acetyl]hydrazinylidene]methyl]benzoic acid
CID 28588777
N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 6033940
N-[(Z)-[1-(2,4-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 98060185
N-[(Z)-(2,5-dimethyl-1-phenylpyrrol-3-yl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 98060243
N-(3-chloro-4-fluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 1310867
N-(cyclododecylideneamino)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 2854777
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(4-ethoxyphenyl)sulfonylanilino)acetamide
CID 28589719
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 43879026
N-(2,6-difluorophenyl)-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 2209477
N-[(Z)-[1-(4-fluorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 98060238
N-[(Z)-[1-(4-bromophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide
CID 98060228

Frequently Asked Questions

What is the IUPAC name of N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide (CID 43879296) is N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide is O=C(CN(c1ccccc1)S(=O)(=O)c1ccccc1[N+](=O)[O-])N/N=C/c1c(Cl)cccc1Cl.
What is the InChIKey of N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide?
The InChIKey is SRNIGMTVWOMXMJ-ZMOGYAJESA-N. The full InChI is InChI=1S/C21H16Cl2N4O5S/c22-17-9-6-10-18(23)16(17)13-24-25-21(28)14-26(15-7-2-1-3-8-15)33(31,32)20-12-5-4-11-19(20)27(29)30/h1-13H,14H2,(H,25,28)/b24-13+.
What are the key properties of N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide?
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide has a molecular weight of 507.36 g/mol, XLogP of 4.25, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-(N-(2-nitrophenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 43879296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).