2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide

C17H17Cl2N3O3S — CID 126034155

IUPAC2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide
SMILESCC(C)=NNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2N3O3S/c1-12(2)20-21-17(23)11-22(15-5-3-4-14(19)10-15)26(24,25)16-8-6-13(18)7-9-16/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyPUARANJCJGGORV-UHFFFAOYSA-N
MW414.31 g/mol
LogP3.70
Rot. Bonds6

About 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide

2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide (PubChem CID 126034155) has the molecular formula C17H17Cl2N3O3S and a molecular weight of 414.31 g/mol. Its IUPAC name is 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide
PubChem CID126034155
Molecular FormulaC17H17Cl2N3O3S
Molecular Weight414.31 g/mol
Exact Mass413.04
IUPAC Name2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide
SMILESCC(C)=NNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C17H17Cl2N3O3S/c1-12(2)20-21-17(23)11-22(15-5-3-4-14(19)10-15)26(24,25)16-8-6-13(18)7-9-16/h3-10H,11H2,1-2H3,(H,21,23)
InChIKeyPUARANJCJGGORV-UHFFFAOYSA-N
XLogP3.70
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.31
LogP ≤ 53.70
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-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide
CID 126126072
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[(Z)-1-(2-hydroxyphenyl)ethylideneamino]acetamide
CID 137044533
2-[N-(benzenesulfonyl)-3,4-dichloroanilino]-N-(propan-2-ylideneamino)acetamide
CID 28588551
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-(nonan-2-ylideneamino)acetamide
CID 3536506
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-methylacetamide
CID 30170999
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-cyclopentylacetamide
CID 23932028
N-benzyl-2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)acetamide
CID 126035646
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(3-chloro-2-methylphenyl)acetamide
CID 3988953
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 23792056
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(4-propan-2-ylphenyl)acetamide
CID 23767179
2-[N-(benzenesulfonyl)-3-chloroanilino]-N-[(Z)-1-(4-ethoxyphenyl)ethylideneamino]acetamide
CID 6020021
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[(Z)-(4-methyl-4-phenylpentan-2-ylidene)amino]acetamide
CID 126122743

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide?
The IUPAC name of 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide (CID 126034155) is 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide.
What is the SMILES notation for 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide?
The canonical SMILES for 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide is CC(C)=NNC(=O)CN(c1cccc(Cl)c1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide?
The InChIKey is PUARANJCJGGORV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3O3S/c1-12(2)20-21-17(23)11-22(15-5-3-4-14(19)10-15)26(24,25)16-8-6-13(18)7-9-16/h3-10H,11H2,1-2H3,(H,21,23).
What are the key properties of 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide?
2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide has a molecular weight of 414.31 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(4-chlorophenyl)sulfonylanilino)-N-(propan-2-ylideneamino)acetamide is sourced from PubChem (CID 126034155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).