2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide

C20H17Cl2N3O3S — CID 92511360

IUPAC2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
SMILESCN(CC(=O)N/N=C\c1cccc2ccccc12)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H17Cl2N3O3S/c1-25(29(27,28)19-11-16(21)9-10-18(19)22)13-20(26)24-23-12-15-7-4-6-14-5-2-3-8-17(14)15/h2-12H,13H2,1H3,(H,24,26)/b23-12-
InChIKeyNMMPBYCRTGNYLK-FMCGGJTJSA-N
MW450.35 g/mol
LogP3.92
Rot. Bonds6

About 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide

2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide (PubChem CID 92511360) has the molecular formula C20H17Cl2N3O3S and a molecular weight of 450.35 g/mol. Its IUPAC name is 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide.

Molecular Properties

Compound Name2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
PubChem CID92511360
Molecular FormulaC20H17Cl2N3O3S
Molecular Weight450.35 g/mol
Exact Mass449.04
IUPAC Name2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
SMILESCN(CC(=O)N/N=C\c1cccc2ccccc12)S(=O)(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C20H17Cl2N3O3S/c1-25(29(27,28)19-11-16(21)9-10-18(19)22)13-20(26)24-23-12-15-7-4-6-14-5-2-3-8-17(14)15/h2-12H,13H2,1H3,(H,24,26)/b23-12-
InChIKeyNMMPBYCRTGNYLK-FMCGGJTJSA-N
XLogP3.92
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.35
LogP ≤ 53.92
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

N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(2,5-dichlorophenyl)sulfonyl-methylamino]acetamide
CID 92511364
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(Z)-(4-phenylmethoxyphenyl)methylideneamino]acetamide
CID 92511280
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(naphthalen-1-ylmethylideneamino)acetamide
CID 5008415
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
CID 9174614
N-[(E)-(2,6-dichlorophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 92511407
N-[(Z)-(2,6-dichlorophenyl)methylideneamino]-2-[methyl(naphthalen-2-ylsulfonyl)amino]acetamide
CID 6142130
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-(2-methylphenyl)acetamide
CID 16583536
2-[N-(benzenesulfonyl)-2,3-dichloroanilino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide
CID 28588593
2,4-dichloro-N-(naphthalen-1-ylmethylideneamino)benzamide
CID 5070346
N-[(2-chlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 4261913
N-[(2,4-dichlorophenyl)methylideneamino]-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 4203841
2-[benzenesulfonyl(methyl)amino]-N-[(2,3-dimethoxyphenyl)methylideneamino]acetamide
CID 25162948

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide?
The IUPAC name of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide (CID 92511360) is 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide.
What is the SMILES notation for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide?
The canonical SMILES for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is CN(CC(=O)N/N=C\c1cccc2ccccc12)S(=O)(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide?
The InChIKey is NMMPBYCRTGNYLK-FMCGGJTJSA-N. The full InChI is InChI=1S/C20H17Cl2N3O3S/c1-25(29(27,28)19-11-16(21)9-10-18(19)22)13-20(26)24-23-12-15-7-4-6-14-5-2-3-8-17(14)15/h2-12H,13H2,1H3,(H,24,26)/b23-12-.
What are the key properties of 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide?
2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide has a molecular weight of 450.35 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dichlorophenyl)sulfonyl-methylamino]-N-[(Z)-naphthalen-1-ylmethylideneamino]acetamide is sourced from PubChem (CID 92511360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).