3-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide

C11H15BrClN3O3S — CID 76910949

IUPAC3-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(C)S(=O)(=O)c1ccc(Br)cc1Cl)C(N)=NO
InChIInChI=1S/C11H15BrClN3O3S/c1-7(11(14)15-17)6-16(2)20(18,19)10-4-3-8(12)5-9(10)13/h3-5,7,17H,6H2,1-2H3,(H2,14,15)
InChIKeyYEVTWEUDRGWFMG-UHFFFAOYSA-N
MW384.68 g/mol
LogP2.11
Rot. Bonds5

About 3-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide

3-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide (PubChem CID 76910949) has the molecular formula C11H15BrClN3O3S and a molecular weight of 384.68 g/mol. Its IUPAC name is 3-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide.

Molecular Properties

Compound Name3-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
PubChem CID76910949
Molecular FormulaC11H15BrClN3O3S
Molecular Weight384.68 g/mol
Exact Mass382.97
IUPAC Name3-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide
SMILESCC(CN(C)S(=O)(=O)c1ccc(Br)cc1Cl)C(N)=NO
InChIInChI=1S/C11H15BrClN3O3S/c1-7(11(14)15-17)6-16(2)20(18,19)10-4-3-8(12)5-9(10)13/h3-5,7,17H,6H2,1-2H3,(H2,14,15)
InChIKeyYEVTWEUDRGWFMG-UHFFFAOYSA-N
XLogP2.11
TPSA95.99 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.68
LogP ≤ 52.11
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'}

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The IUPAC name of 3-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide (CID 76910949) is 3-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide.
What is the SMILES notation for 3-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The canonical SMILES for 3-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide is CC(CN(C)S(=O)(=O)c1ccc(Br)cc1Cl)C(N)=NO.
What is the InChIKey of 3-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide?
The InChIKey is YEVTWEUDRGWFMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15BrClN3O3S/c1-7(11(14)15-17)6-16(2)20(18,19)10-4-3-8(12)5-9(10)13/h3-5,7,17H,6H2,1-2H3,(H2,14,15).
What are the key properties of 3-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide?
3-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide has a molecular weight of 384.68 g/mol, XLogP of 2.11, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromo-2-chlorophenyl)sulfonyl-methylamino]-N'-hydroxy-2-methylpropanimidamide is sourced from PubChem (CID 76910949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).