2,4,6-trichloro-N-methoxy-N-methylbenzenesulfonamide

C8H8Cl3NO3S — CID 61059338

IUPAC2,4,6-trichloro-N-methoxy-N-methylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl3NO3S/c1-12(15-2)16(13,14)8-6(10)3-5(9)4-7(8)11/h3-4H,1-2H3
InChIKeyHLJXZDHNUUXXIE-UHFFFAOYSA-N
MW304.58 g/mol
LogP2.83
Rot. Bonds3

About 2,4,6-trichloro-N-methoxy-N-methylbenzenesulfonamide

2,4,6-trichloro-N-methoxy-N-methylbenzenesulfonamide (PubChem CID 61059338) has the molecular formula C8H8Cl3NO3S and a molecular weight of 304.58 g/mol. Its IUPAC name is 2,4,6-trichloro-N-methoxy-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-methoxy-N-methylbenzenesulfonamide
PubChem CID61059338
Molecular FormulaC8H8Cl3NO3S
Molecular Weight304.58 g/mol
Exact Mass302.93
IUPAC Name2,4,6-trichloro-N-methoxy-N-methylbenzenesulfonamide
SMILESCON(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C8H8Cl3NO3S/c1-12(15-2)16(13,14)8-6(10)3-5(9)4-7(8)11/h3-4H,1-2H3
InChIKeyHLJXZDHNUUXXIE-UHFFFAOYSA-N
XLogP2.83
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.58
LogP ≤ 52.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4,6-trichloro-N-methoxy-N-methylbenzenesulfonamide 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 2,4,6-trichloro-N-methoxy-N-methylbenzenesulfonamide?
The IUPAC name of 2,4,6-trichloro-N-methoxy-N-methylbenzenesulfonamide (CID 61059338) is 2,4,6-trichloro-N-methoxy-N-methylbenzenesulfonamide.
What is the SMILES notation for 2,4,6-trichloro-N-methoxy-N-methylbenzenesulfonamide?
The canonical SMILES for 2,4,6-trichloro-N-methoxy-N-methylbenzenesulfonamide is CON(C)S(=O)(=O)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-methoxy-N-methylbenzenesulfonamide?
The InChIKey is HLJXZDHNUUXXIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8Cl3NO3S/c1-12(15-2)16(13,14)8-6(10)3-5(9)4-7(8)11/h3-4H,1-2H3.
What are the key properties of 2,4,6-trichloro-N-methoxy-N-methylbenzenesulfonamide?
2,4,6-trichloro-N-methoxy-N-methylbenzenesulfonamide has a molecular weight of 304.58 g/mol, XLogP of 2.83, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-methoxy-N-methylbenzenesulfonamide is sourced from PubChem (CID 61059338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).