2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide

C9H11Cl2N3O3S — CID 76929267

IUPAC2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide
SMILESCN(CC(N)=NO)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H11Cl2N3O3S/c1-14(5-9(12)13-15)18(16,17)8-3-6(10)2-7(11)4-8/h2-4,15H,5H2,1H3,(H2,12,13)
InChIKeyJWOGRONQCGNNSL-UHFFFAOYSA-N
MW312.18 g/mol
LogP1.36
Rot. Bonds4

About 2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide

2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide (PubChem CID 76929267) has the molecular formula C9H11Cl2N3O3S and a molecular weight of 312.18 g/mol. Its IUPAC name is 2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide.

Molecular Properties

Compound Name2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide
PubChem CID76929267
Molecular FormulaC9H11Cl2N3O3S
Molecular Weight312.18 g/mol
Exact Mass310.99
IUPAC Name2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide
SMILESCN(CC(N)=NO)S(=O)(=O)c1cc(Cl)cc(Cl)c1
InChIInChI=1S/C9H11Cl2N3O3S/c1-14(5-9(12)13-15)18(16,17)8-3-6(10)2-7(11)4-8/h2-4,15H,5H2,1H3,(H2,12,13)
InChIKeyJWOGRONQCGNNSL-UHFFFAOYSA-N
XLogP1.36
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.18
LogP ≤ 51.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide?
The IUPAC name of 2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide (CID 76929267) is 2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide.
What is the SMILES notation for 2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide?
The canonical SMILES for 2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide is CN(CC(N)=NO)S(=O)(=O)c1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide?
The InChIKey is JWOGRONQCGNNSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11Cl2N3O3S/c1-14(5-9(12)13-15)18(16,17)8-3-6(10)2-7(11)4-8/h2-4,15H,5H2,1H3,(H2,12,13).
What are the key properties of 2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide?
2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide has a molecular weight of 312.18 g/mol, XLogP of 1.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3,5-dichlorophenyl)sulfonyl-methylamino]-N'-hydroxyethanimidamide is sourced from PubChem (CID 76929267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).