2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide

C17H18ClN3O3S — CID 9174614

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
SMILESCc1ccccc1/C=N\NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O3S/c1-13-5-3-4-6-14(13)11-19-20-17(22)12-21(2)25(23,24)16-9-7-15(18)8-10-16/h3-11H,12H2,1-2H3,(H,20,22)/b19-11-
InChIKeyVEKYZMHGKLPQNV-ODLFYWEKSA-N
MW379.87 g/mol
LogP2.42
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide (PubChem CID 9174614) has the molecular formula C17H18ClN3O3S and a molecular weight of 379.87 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
PubChem CID9174614
Molecular FormulaC17H18ClN3O3S
Molecular Weight379.87 g/mol
Exact Mass379.08
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide
SMILESCc1ccccc1/C=N\NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H18ClN3O3S/c1-13-5-3-4-6-14(13)11-19-20-17(22)12-21(2)25(23,24)16-9-7-15(18)8-10-16/h3-11H,12H2,1-2H3,(H,20,22)/b19-11-
InChIKeyVEKYZMHGKLPQNV-ODLFYWEKSA-N
XLogP2.42
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.87
LogP ≤ 52.42
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-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2,4,6-trimethylphenyl)methylideneamino]acetamide
CID 9174623
N-[(E)-(2-iodophenyl)methylideneamino]-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 55351543
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[(E)-(2-nitrophenyl)methylideneamino]acetamide
CID 6877590
N-(benzylideneamino)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 3423617
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(E)-(2-hydroxyphenyl)methylideneamino]acetamide
CID 135679438
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(3-phenoxyphenyl)methylideneamino]acetamide
CID 92511340
N-[(Z)-(2-bromophenyl)methylideneamino]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 92511368
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-(N-(4-chlorophenyl)sulfonyl-4-methylanilino)acetamide
CID 92644228
2-[(Z)-[[2-[(4-bromophenyl)sulfonyl-methylamino]acetyl]hydrazinylidene]methyl]benzoic acid
CID 92511372
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-[(Z)-(2-bromophenyl)methylideneamino]acetamide
CID 92513101
N-[(Z)-(2-chlorophenyl)methylideneamino]-2-[(3,4-dimethoxyphenyl)sulfonyl-methylamino]acetamide
CID 92511381
N-[(E)-(2-fluorophenyl)methylideneamino]-2-[(4-methoxy-3-methylphenyl)sulfonyl-methylamino]acetamide
CID 92512476

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide (CID 9174614) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide is Cc1ccccc1/C=N\NC(=O)CN(C)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide?
The InChIKey is VEKYZMHGKLPQNV-ODLFYWEKSA-N. The full InChI is InChI=1S/C17H18ClN3O3S/c1-13-5-3-4-6-14(13)11-19-20-17(22)12-21(2)25(23,24)16-9-7-15(18)8-10-16/h3-11H,12H2,1-2H3,(H,20,22)/b19-11-.
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide has a molecular weight of 379.87 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[(Z)-(2-methylphenyl)methylideneamino]acetamide is sourced from PubChem (CID 9174614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).