3-chloro-N-(4-chlorophenyl)-2-methylpropane-1-sulfonamide

C10H13Cl2NO2S — CID 79585905

IUPAC3-chloro-N-(4-chlorophenyl)-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C10H13Cl2NO2S/c1-8(6-11)7-16(14,15)13-10-4-2-9(12)3-5-10/h2-5,8,13H,6-7H2,1H3
InChIKeyHIVXPJRZPXXKQK-UHFFFAOYSA-N
MW282.19 g/mol
LogP2.96
Rot. Bonds5

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

3-chloro-N-(4-chlorophenyl)-2-methylpropane-1-sulfonamide (PubChem CID 79585905) has the molecular formula C10H13Cl2NO2S and a molecular weight of 282.19 g/mol. Its IUPAC name is 3-chloro-N-(4-chlorophenyl)-2-methylpropane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(4-chlorophenyl)-2-methylpropane-1-sulfonamide
PubChem CID79585905
Molecular FormulaC10H13Cl2NO2S
Molecular Weight282.19 g/mol
Exact Mass281.00
IUPAC Name3-chloro-N-(4-chlorophenyl)-2-methylpropane-1-sulfonamide
SMILESCC(CCl)CS(=O)(=O)Nc1ccc(Cl)cc1
InChIInChI=1S/C10H13Cl2NO2S/c1-8(6-11)7-16(14,15)13-10-4-2-9(12)3-5-10/h2-5,8,13H,6-7H2,1H3
InChIKeyHIVXPJRZPXXKQK-UHFFFAOYSA-N
XLogP2.96
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.19
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-N-(4-chlorophenyl)-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

3-chloro-N-(4-hydroxyphenyl)-2-methylpropane-1-sulfonamide
CID 79585459
3-chloro-2-methyl-N-(4-pentylphenyl)propane-1-sulfonamide
CID 79585956
3-chloro-N-(3-fluoro-4-methylphenyl)-2-methylpropane-1-sulfonamide
CID 79585638
3-chloro-2-methyl-N-[4-(trifluoromethoxy)phenyl]propane-1-sulfonamide
CID 79580115
2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenyl]-N-ethylacetamide
CID 79556556
3-chloro-N-(4-chloro-3-cyanophenyl)-2-methylpropane-1-sulfonamide
CID 79585540
3-chloro-N-(3-chloro-4-propan-2-yloxyphenyl)-2-methylpropane-1-sulfonamide
CID 79585676
2-[4-[(3-chloro-2-methylpropyl)sulfonylamino]phenoxy]acetamide
CID 79586204
3-chloro-2-methyl-N-[4-(1,3-thiazol-2-yl)phenyl]propane-1-sulfonamide
CID 79585858
N-(4-bromo-3-methoxyphenyl)-3-chloro-2-methylpropane-1-sulfonamide
CID 82861104
N-[4-[(3-chloro-2-methylpropyl)sulfonylamino]-2-methylphenyl]acetamide
CID 79585225
3-[(3-chloro-2-methylpropyl)sulfonylamino]benzenesulfonamide
CID 79585777

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(4-chlorophenyl)-2-methylpropane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(4-chlorophenyl)-2-methylpropane-1-sulfonamide (CID 79585905) is 3-chloro-N-(4-chlorophenyl)-2-methylpropane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(4-chlorophenyl)-2-methylpropane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(4-chlorophenyl)-2-methylpropane-1-sulfonamide is CC(CCl)CS(=O)(=O)Nc1ccc(Cl)cc1.
What is the InChIKey of 3-chloro-N-(4-chlorophenyl)-2-methylpropane-1-sulfonamide?
The InChIKey is HIVXPJRZPXXKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13Cl2NO2S/c1-8(6-11)7-16(14,15)13-10-4-2-9(12)3-5-10/h2-5,8,13H,6-7H2,1H3.
What are the key properties of 3-chloro-N-(4-chlorophenyl)-2-methylpropane-1-sulfonamide?
3-chloro-N-(4-chlorophenyl)-2-methylpropane-1-sulfonamide has a molecular weight of 282.19 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(4-chlorophenyl)-2-methylpropane-1-sulfonamide is sourced from PubChem (CID 79585905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).