N-[(Z)-benzylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide

C16H15Cl2N3O3S — CID 126033666

IUPACN-[(Z)-benzylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)N/N=C\c1ccccc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl2N3O3S/c1-25(23,24)21(15-9-13(17)7-8-14(15)18)11-16(22)20-19-10-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,20,22)/b19-10-
InChIKeyBUOTXTBTNAOCAX-GRSHGNNSSA-N
MW400.29 g/mol
LogP2.91
Rot. Bonds6

About N-[(Z)-benzylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide

N-[(Z)-benzylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide (PubChem CID 126033666) has the molecular formula C16H15Cl2N3O3S and a molecular weight of 400.29 g/mol. Its IUPAC name is N-[(Z)-benzylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[(Z)-benzylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
PubChem CID126033666
Molecular FormulaC16H15Cl2N3O3S
Molecular Weight400.29 g/mol
Exact Mass399.02
IUPAC NameN-[(Z)-benzylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)N/N=C\c1ccccc1)c1cc(Cl)ccc1Cl
InChIInChI=1S/C16H15Cl2N3O3S/c1-25(23,24)21(15-9-13(17)7-8-14(15)18)11-16(22)20-19-10-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,20,22)/b19-10-
InChIKeyBUOTXTBTNAOCAX-GRSHGNNSSA-N
XLogP2.91
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.29
LogP ≤ 52.91
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-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-pyridin-4-ylmethylideneamino]acetamide
CID 126034348
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-(4-methoxyphenyl)methylideneamino]acetamide
CID 126034228
N-[(Z)-[4-[(3-chlorophenyl)methoxy]phenyl]methylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 126031327
N-[(Z)-(4-bromophenyl)methylideneamino]-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 92684863
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-[5-(2,4-dichlorophenyl)furan-2-yl]methylideneamino]acetamide
CID 126033637
2-(2-chloro-N-methylsulfonylanilino)-N-[(Z)-[4-(dimethylamino)phenyl]methylideneamino]acetamide
CID 92684892
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[(E)-(2,6-dichlorophenyl)methylideneamino]acetamide
CID 5349202
2-(N-methylsulfonylanilino)-N-[(E)-[4-[(E)-[[2-(N-methylsulfonylanilino)acetyl]hydrazinylidene]methyl]phenyl]methylideneamino]acetamide
CID 16761126
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-[1-(3,5-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 126032572
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylphenyl)acetamide
CID 1322632
N-(2,5-dichlorophenyl)-N-(2-hydrazinyl-2-oxoethyl)methanesulfonamide
CID 50892714
2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(Z)-[1-(2,3-dichlorophenyl)-2,5-dimethylpyrrol-3-yl]methylideneamino]acetamide
CID 126032799

Frequently Asked Questions

What is the IUPAC name of N-[(Z)-benzylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[(Z)-benzylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide (CID 126033666) is N-[(Z)-benzylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[(Z)-benzylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[(Z)-benzylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)N/N=C\c1ccccc1)c1cc(Cl)ccc1Cl.
What is the InChIKey of N-[(Z)-benzylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide?
The InChIKey is BUOTXTBTNAOCAX-GRSHGNNSSA-N. The full InChI is InChI=1S/C16H15Cl2N3O3S/c1-25(23,24)21(15-9-13(17)7-8-14(15)18)11-16(22)20-19-10-12-5-3-2-4-6-12/h2-10H,11H2,1H3,(H,20,22)/b19-10-.
What are the key properties of N-[(Z)-benzylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide?
N-[(Z)-benzylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide has a molecular weight of 400.29 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(Z)-benzylideneamino]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 126033666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).