2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide

C20H16Cl2N4O3S — CID 43876800

IUPAC2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
SMILESO=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1
InChIInChI=1S/C20H16Cl2N4O3S/c21-15-10-16(22)12-18(11-15)26(30(28,29)19-7-2-1-3-8-19)14-20(27)25-24-13-17-6-4-5-9-23-17/h1-13H,14H2,(H,25,27)/b24-13+
InChIKeyLCAFTNQOGLVMIB-ZMOGYAJESA-N
MW463.35 g/mol
LogP3.73
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide

2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide (PubChem CID 43876800) has the molecular formula C20H16Cl2N4O3S and a molecular weight of 463.35 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
PubChem CID43876800
Molecular FormulaC20H16Cl2N4O3S
Molecular Weight463.35 g/mol
Exact Mass462.03
IUPAC Name2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide
SMILESO=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1
InChIInChI=1S/C20H16Cl2N4O3S/c21-15-10-16(22)12-18(11-15)26(30(28,29)19-7-2-1-3-8-19)14-20(27)25-24-13-17-6-4-5-9-23-17/h1-13H,14H2,(H,25,27)/b24-13+
InChIKeyLCAFTNQOGLVMIB-ZMOGYAJESA-N
XLogP3.73
TPSA91.73 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.35
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 92644376
2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-(3-methylphenyl)methylideneamino]acetamide
CID 92644372
N-[(Z)-anthracen-9-ylmethylideneamino]-2-(3,5-dichloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 98061924
2-[N-(benzenesulfonyl)anilino]-N-[(Z)-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 98060289
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 92511401
4-[[N-(benzenesulfonyl)anilino]methyl]-N-(pyridin-2-ylmethylideneamino)benzamide
CID 4658290
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[(Z)-(3-chlorophenyl)methylideneamino]acetamide
CID 126032877
2-[methyl(naphthalen-2-ylsulfonyl)amino]-N-(pyridin-2-ylmethylideneamino)acetamide
CID 4041187
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-pyridin-2-ylmethylideneamino]acetamide
CID 126069197
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2,3-dichlorophenyl)acetamide
CID 21372113
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-(2-phenylphenyl)acetamide
CID 126129468
2-[N-(benzenesulfonyl)-4-chloroanilino]-N-[(Z)-(3-ethoxy-4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 6092433

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide (CID 43876800) is 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide is O=C(CN(c1cc(Cl)cc(Cl)c1)S(=O)(=O)c1ccccc1)N/N=C/c1ccccn1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
The InChIKey is LCAFTNQOGLVMIB-ZMOGYAJESA-N. The full InChI is InChI=1S/C20H16Cl2N4O3S/c21-15-10-16(22)12-18(11-15)26(30(28,29)19-7-2-1-3-8-19)14-20(27)25-24-13-17-6-4-5-9-23-17/h1-13H,14H2,(H,25,27)/b24-13+.
What are the key properties of 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide?
2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide has a molecular weight of 463.35 g/mol, XLogP of 3.73, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-3,5-dichloroanilino]-N-[(E)-pyridin-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 43876800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).