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

C12H14Cl2N2O4S — CID 155515426

IUPAC2-chloro-N-[4-chloro-3-(oxolan-3-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(Cl)c(S(=O)(=O)NC2CCOC2)c1
InChIInChI=1S/C12H14Cl2N2O4S/c13-6-12(17)15-8-1-2-10(14)11(5-8)21(18,19)16-9-3-4-20-7-9/h1-2,5,9,16H,3-4,6-7H2,(H,15,17)
InChIKeyXWWAMKUOFLPIIN-UHFFFAOYSA-N
MW353.23 g/mol
LogP1.58
Rot. Bonds5

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

2-chloro-N-[4-chloro-3-(oxolan-3-ylsulfamoyl)phenyl]acetamide (PubChem CID 155515426) has the molecular formula C12H14Cl2N2O4S and a molecular weight of 353.23 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-3-(oxolan-3-ylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-3-(oxolan-3-ylsulfamoyl)phenyl]acetamide
PubChem CID155515426
Molecular FormulaC12H14Cl2N2O4S
Molecular Weight353.23 g/mol
Exact Mass352.01
IUPAC Name2-chloro-N-[4-chloro-3-(oxolan-3-ylsulfamoyl)phenyl]acetamide
SMILESO=C(CCl)Nc1ccc(Cl)c(S(=O)(=O)NC2CCOC2)c1
InChIInChI=1S/C12H14Cl2N2O4S/c13-6-12(17)15-8-1-2-10(14)11(5-8)21(18,19)16-9-3-4-20-7-9/h1-2,5,9,16H,3-4,6-7H2,(H,15,17)
InChIKeyXWWAMKUOFLPIIN-UHFFFAOYSA-N
XLogP1.58
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.23
LogP ≤ 51.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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-(oxolan-3-ylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-chloro-3-(oxolan-3-ylsulfamoyl)phenyl]acetamide (CID 155515426) is 2-chloro-N-[4-chloro-3-(oxolan-3-ylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-chloro-3-(oxolan-3-ylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-chloro-3-(oxolan-3-ylsulfamoyl)phenyl]acetamide is O=C(CCl)Nc1ccc(Cl)c(S(=O)(=O)NC2CCOC2)c1.
What is the InChIKey of 2-chloro-N-[4-chloro-3-(oxolan-3-ylsulfamoyl)phenyl]acetamide?
The InChIKey is XWWAMKUOFLPIIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14Cl2N2O4S/c13-6-12(17)15-8-1-2-10(14)11(5-8)21(18,19)16-9-3-4-20-7-9/h1-2,5,9,16H,3-4,6-7H2,(H,15,17).
What are the key properties of 2-chloro-N-[4-chloro-3-(oxolan-3-ylsulfamoyl)phenyl]acetamide?
2-chloro-N-[4-chloro-3-(oxolan-3-ylsulfamoyl)phenyl]acetamide has a molecular weight of 353.23 g/mol, XLogP of 1.58, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-chloro-3-(oxolan-3-ylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 155515426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).