2-chloro-N-[4-chloro-3-(methylsulfamoyl)phenyl]acetamide

C9H10Cl2N2O3S — CID 155514182

IUPAC2-chloro-N-[4-chloro-3-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl
InChIInChI=1S/C9H10Cl2N2O3S/c1-12-17(15,16)8-4-6(2-3-7(8)11)13-9(14)5-10/h2-4,12H,5H2,1H3,(H,13,14)
InChIKeyLXLFLPRRVVAAME-UHFFFAOYSA-N
MW297.16 g/mol
LogP1.43
Rot. Bonds4

About 2-chloro-N-[4-chloro-3-(methylsulfamoyl)phenyl]acetamide

2-chloro-N-[4-chloro-3-(methylsulfamoyl)phenyl]acetamide (PubChem CID 155514182) has the molecular formula C9H10Cl2N2O3S and a molecular weight of 297.16 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-3-(methylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-3-(methylsulfamoyl)phenyl]acetamide
PubChem CID155514182
Molecular FormulaC9H10Cl2N2O3S
Molecular Weight297.16 g/mol
Exact Mass295.98
IUPAC Name2-chloro-N-[4-chloro-3-(methylsulfamoyl)phenyl]acetamide
SMILESCNS(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl
InChIInChI=1S/C9H10Cl2N2O3S/c1-12-17(15,16)8-4-6(2-3-7(8)11)13-9(14)5-10/h2-4,12H,5H2,1H3,(H,13,14)
InChIKeyLXLFLPRRVVAAME-UHFFFAOYSA-N
XLogP1.43
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.16
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[4-chloro-3-(methylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-chloro-3-(methylsulfamoyl)phenyl]acetamide (CID 155514182) is 2-chloro-N-[4-chloro-3-(methylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-chloro-3-(methylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-chloro-3-(methylsulfamoyl)phenyl]acetamide is CNS(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl.
What is the InChIKey of 2-chloro-N-[4-chloro-3-(methylsulfamoyl)phenyl]acetamide?
The InChIKey is LXLFLPRRVVAAME-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10Cl2N2O3S/c1-12-17(15,16)8-4-6(2-3-7(8)11)13-9(14)5-10/h2-4,12H,5H2,1H3,(H,13,14).
What are the key properties of 2-chloro-N-[4-chloro-3-(methylsulfamoyl)phenyl]acetamide?
2-chloro-N-[4-chloro-3-(methylsulfamoyl)phenyl]acetamide has a molecular weight of 297.16 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-chloro-3-(methylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 155514182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).