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

C10H12Cl2N2O3S — CID 3860347

IUPAC2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl
InChIInChI=1S/C10H12Cl2N2O3S/c1-14(2)18(16,17)9-5-7(3-4-8(9)12)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyYEHYODCKTNLFQU-UHFFFAOYSA-N
MW311.19 g/mol
LogP1.77
Rot. Bonds4

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

2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide (PubChem CID 3860347) has the molecular formula C10H12Cl2N2O3S and a molecular weight of 311.19 g/mol. Its IUPAC name is 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
PubChem CID3860347
Molecular FormulaC10H12Cl2N2O3S
Molecular Weight311.19 g/mol
Exact Mass309.99
IUPAC Name2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide
SMILESCN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl
InChIInChI=1S/C10H12Cl2N2O3S/c1-14(2)18(16,17)9-5-7(3-4-8(9)12)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15)
InChIKeyYEHYODCKTNLFQU-UHFFFAOYSA-N
XLogP1.77
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.19
LogP ≤ 51.77
H-Bond Donors ≤ 51
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-(dimethylsulfamoyl)phenyl]acetamide?
The IUPAC name of 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide (CID 3860347) is 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide.
What is the SMILES notation for 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide?
The canonical SMILES for 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide is CN(C)S(=O)(=O)c1cc(NC(=O)CCl)ccc1Cl.
What is the InChIKey of 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide?
The InChIKey is YEHYODCKTNLFQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12Cl2N2O3S/c1-14(2)18(16,17)9-5-7(3-4-8(9)12)13-10(15)6-11/h3-5H,6H2,1-2H3,(H,13,15).
What are the key properties of 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide?
2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide has a molecular weight of 311.19 g/mol, XLogP of 1.77, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[4-chloro-3-(dimethylsulfamoyl)phenyl]acetamide is sourced from PubChem (CID 3860347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).