2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide

C19H15Cl2N3O4S — CID 28588594

IUPAC2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
SMILESO=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C\c1ccco1
InChIInChI=1S/C19H15Cl2N3O4S/c20-16-9-4-10-17(19(16)21)24(29(26,27)15-7-2-1-3-8-15)13-18(25)23-22-12-14-6-5-11-28-14/h1-12H,13H2,(H,23,25)/b22-12-
InChIKeySVIRYANNNHBKPP-UUYOSTAYSA-N
MW452.32 g/mol
LogP3.93
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide

2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide (PubChem CID 28588594) has the molecular formula C19H15Cl2N3O4S and a molecular weight of 452.32 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
PubChem CID28588594
Molecular FormulaC19H15Cl2N3O4S
Molecular Weight452.32 g/mol
Exact Mass451.02
IUPAC Name2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
SMILESO=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C\c1ccco1
InChIInChI=1S/C19H15Cl2N3O4S/c20-16-9-4-10-17(19(16)21)24(29(26,27)15-7-2-1-3-8-15)13-18(25)23-22-12-14-6-5-11-28-14/h1-12H,13H2,(H,23,25)/b22-12-
InChIKeySVIRYANNNHBKPP-UUYOSTAYSA-N
XLogP3.93
TPSA91.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.32
LogP ≤ 53.93
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

2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 28588593
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 28588575
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide
CID 555613
2-[(2-chlorophenyl)methyl-(4-methylphenyl)sulfonylamino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 126069386
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide
CID 2282100
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 92644288
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-methylsulfanylphenyl)acetamide
CID 21372093
4-chloro-N-(2,3-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)benzenesulfonamide
CID 50892150
2-[N-(benzenesulfonyl)-2-methylanilino]-N-(benzylideneamino)acetamide
CID 2716777
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]acetamide
CID 92648474
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-ethylphenyl)acetamide
CID 1298612
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(4-chloro-2-methylphenyl)acetamide
CID 1335821

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide (CID 28588594) is 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide is O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C\c1ccco1.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
The InChIKey is SVIRYANNNHBKPP-UUYOSTAYSA-N. The full InChI is InChI=1S/C19H15Cl2N3O4S/c20-16-9-4-10-17(19(16)21)24(29(26,27)15-7-2-1-3-8-15)13-18(25)23-22-12-14-6-5-11-28-14/h1-12H,13H2,(H,23,25)/b22-12-.
What are the key properties of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide?
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide has a molecular weight of 452.32 g/mol, XLogP of 3.93, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide is sourced from PubChem (CID 28588594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).