2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide

C25H19Cl2N3O3S — CID 28588593

IUPAC2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
SMILESO=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C\c1cccc2ccccc12
InChIInChI=1S/C25H19Cl2N3O3S/c26-22-14-7-15-23(25(22)27)30(34(32,33)20-11-2-1-3-12-20)17-24(31)29-28-16-19-10-6-9-18-8-4-5-13-21(18)19/h1-16H,17H2,(H,29,31)/b28-16-
InChIKeyABJIQEVLXHRXBM-NTFVMDSBSA-N
MW512.42 g/mol
LogP5.49
Rot. Bonds7

About 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide

2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide (PubChem CID 28588593) has the molecular formula C25H19Cl2N3O3S and a molecular weight of 512.42 g/mol. Its IUPAC name is 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
PubChem CID28588593
Molecular FormulaC25H19Cl2N3O3S
Molecular Weight512.42 g/mol
Exact Mass511.05
IUPAC Name2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
SMILESO=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C\c1cccc2ccccc12
InChIInChI=1S/C25H19Cl2N3O3S/c26-22-14-7-15-23(25(22)27)30(34(32,33)20-11-2-1-3-12-20)17-24(31)29-28-16-19-10-6-9-18-8-4-5-13-21(18)19/h1-16H,17H2,(H,29,31)/b28-16-
InChIKeyABJIQEVLXHRXBM-NTFVMDSBSA-N
XLogP5.49
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.42
LogP ≤ 55.49
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)-2,3-dichloroanilino]-N-[(Z)-furan-2-ylmethylideneamino]acetamide
CID 28588594
2-[N-(benzenesulfonyl)-4-propan-2-ylanilino]-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 4626255
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[(Z)-(2-chloroquinolin-3-yl)methylideneamino]acetamide
CID 92648474
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 5008415
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-(3-nitrophenyl)methylideneamino]acetamide
CID 28588575
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-methylacetamide
CID 555613
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 28588805
2-[N-(benzenesulfonyl)-2-methoxyanilino]-N-[(E)-[2-[(2-chlorophenyl)methoxy]phenyl]methylideneamino]acetamide
CID 46501195
2-[N-(benzenesulfonyl)-2-chloroanilino]-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 92644288
2-[N-(benzenesulfonyl)-2-methoxy-5-methylanilino]-N-[(Z)-(2-chlorophenyl)methylideneamino]acetamide
CID 92644335
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-(2-fluorophenyl)acetamide
CID 2282100
2-[N-(benzenesulfonyl)-5-chloro-2-methylanilino]-N-[(Z)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135916009

Frequently Asked Questions

What is the IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide?
The IUPAC name of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide (CID 28588593) is 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide?
The canonical SMILES for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is O=C(CN(c1cccc(Cl)c1Cl)S(=O)(=O)c1ccccc1)N/N=C\c1cccc2ccccc12.
What is the InChIKey of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide?
The InChIKey is ABJIQEVLXHRXBM-NTFVMDSBSA-N. The full InChI is InChI=1S/C25H19Cl2N3O3S/c26-22-14-7-15-23(25(22)27)30(34(32,33)20-11-2-1-3-12-20)17-24(31)29-28-16-19-10-6-9-18-8-4-5-13-21(18)19/h1-16H,17H2,(H,29,31)/b28-16-.
What are the key properties of 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide?
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide has a molecular weight of 512.42 g/mol, XLogP of 5.49, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is sourced from PubChem (CID 28588593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).