3-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropane-1-sulfonamide

C13H19Cl2NO3S — CID 79585676

IUPAC3-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)Nc1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C13H19Cl2NO3S/c1-9(2)19-13-5-4-11(6-12(13)15)16-20(17,18)8-10(3)7-14/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyCCYSSJSBXYEOEN-UHFFFAOYSA-N
MW340.27 g/mol
LogP3.74
Rot. Bonds7

About 3-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropane-1-sulfonamide

3-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropane-1-sulfonamide (PubChem CID 79585676) has the molecular formula C13H19Cl2NO3S and a molecular weight of 340.27 g/mol. Its IUPAC name is 3-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropane-1-sulfonamide
PubChem CID79585676
Molecular FormulaC13H19Cl2NO3S
Molecular Weight340.27 g/mol
Exact Mass339.05
IUPAC Name3-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)Nc1ccc(OC(C)C)c(Cl)c1
InChIInChI=1S/C13H19Cl2NO3S/c1-9(2)19-13-5-4-11(6-12(13)15)16-20(17,18)8-10(3)7-14/h4-6,9-10,16H,7-8H2,1-3H3
InChIKeyCCYSSJSBXYEOEN-UHFFFAOYSA-N
XLogP3.74
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropane-1-sulfonamide 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

N-(3-chloro-4-propan-2-yloxyphenyl)propane-2-sulfonamide
CID 63000379
3-[(3-chloro-4-propan-2-yloxyphenyl)sulfamoyl]propanoic acid
CID 43715511
3-chloro-N-(4-chloro-3-cyanophenyl)-2-methylpropane-1-sulfonamide
CID 79585540
N-(4-bromo-3-methoxyphenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 82861104
2-[(3-chloro-4-propan-2-yloxyphenyl)sulfamoyl]propanoic acid
CID 61455322
3-chloro-N-(3-fluoro-4-methylphenyl)-2-methylpropane-1-sulfonamide
CID 79585638
3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide
CID 79585459
N-(3-butan-2-yloxyphenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 79585080
N-(3-fluoro-4-propan-2-yloxyphenyl)ethanesulfonamide
CID 110777486
3-[(3-chloro-2-methylpropyl)sulfonylamino]benzenesulfonamide
CID 79585777
3-chloro-2-methyl-N-[4-(trifluoromethoxy)phenyl]propane-1-sulfonamide
CID 79580115
N-[4-[(3-chloro-2-methylpropyl)sulfonylamino]-2-methylphenyl]acetamide
CID 79585225

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropane-1-sulfonamide (CID 79585676) is 3-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropane-1-sulfonamide is CC(CCl)CS(=O)(=O)Nc1ccc(OC(C)C)c(Cl)c1.
What is the InChIKey of 3-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropane-1-sulfonamide?
The InChIKey is CCYSSJSBXYEOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO3S/c1-9(2)19-13-5-4-11(6-12(13)15)16-20(17,18)8-10(3)7-14/h4-6,9-10,16H,7-8H2,1-3H3.
What are the key properties of 3-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropane-1-sulfonamide?
3-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropane-1-sulfonamide has a molecular weight of 340.27 g/mol, XLogP of 3.74, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 79585676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).