2,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide

C11H15Cl2NO3S2 — CID 103835588

IUPAC2,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
SMILESCSCC(C)(O)CNS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NO3S2/c1-11(15,7-18-2)6-14-19(16,17)10-8(12)4-3-5-9(10)13/h3-5,14-15H,6-7H2,1-2H3
InChIKeyZFYJKIYXJJPJAT-UHFFFAOYSA-N
MW344.29 g/mol
LogP2.39
Rot. Bonds6

About 2,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide

2,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide (PubChem CID 103835588) has the molecular formula C11H15Cl2NO3S2 and a molecular weight of 344.29 g/mol. Its IUPAC name is 2,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
PubChem CID103835588
Molecular FormulaC11H15Cl2NO3S2
Molecular Weight344.29 g/mol
Exact Mass342.99
IUPAC Name2,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
SMILESCSCC(C)(O)CNS(=O)(=O)c1c(Cl)cccc1Cl
InChIInChI=1S/C11H15Cl2NO3S2/c1-11(15,7-18-2)6-14-19(16,17)10-8(12)4-3-5-9(10)13/h3-5,14-15H,6-7H2,1-2H3
InChIKeyZFYJKIYXJJPJAT-UHFFFAOYSA-N
XLogP2.39
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.29
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2,6-dichloro-N-(2-hydroxy-2-methylpropyl)benzenesulfonamide
CID 65113165
5-amino-2-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106242782
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-2-methylbenzenesulfonamide
CID 103835619
1-(3-chlorophenyl)-N-[(2S)-2-hydroxy-2-methyl-3-methylsulfanylpropyl]methanesulfonamide
CID 95984177
2-amino-4-chloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide
CID 106242744
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)pyridine-3-sulfonamide
CID 90523077
methyl 2-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl]benzoate
CID 103835697
3-fluoro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-5-methylbenzenesulfonamide
CID 122150626
N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)-1H-pyrazole-5-sulfonamide
CID 106245543
5-bromo-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)thiophene-2-sulfonamide
CID 90523153
2-[4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl]phenyl]acetic acid
CID 106244692
4-[(2-hydroxy-2-methyl-3-methylsulfanylpropyl)sulfamoyl]-N-methylbenzamide
CID 103835608

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
The IUPAC name of 2,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide (CID 103835588) is 2,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide is CSCC(C)(O)CNS(=O)(=O)c1c(Cl)cccc1Cl.
What is the InChIKey of 2,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
The InChIKey is ZFYJKIYXJJPJAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15Cl2NO3S2/c1-11(15,7-18-2)6-14-19(16,17)10-8(12)4-3-5-9(10)13/h3-5,14-15H,6-7H2,1-2H3.
What are the key properties of 2,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide?
2,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide has a molecular weight of 344.29 g/mol, XLogP of 2.39, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dichloro-N-(2-hydroxy-2-methyl-3-methylsulfanylpropyl)benzenesulfonamide is sourced from PubChem (CID 103835588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).