3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide

C11H16ClNO2S — CID 43654466

IUPAC3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)CCCCl)c(C)c1
InChIInChI=1S/C11H16ClNO2S/c1-9-4-5-11(10(2)8-9)13-16(14,15)7-3-6-12/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyPLKCHXKNCJFEIQ-UHFFFAOYSA-N
MW261.77 g/mol
LogP2.67
Rot. Bonds5

About 3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide

3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide (PubChem CID 43654466) has the molecular formula C11H16ClNO2S and a molecular weight of 261.77 g/mol. Its IUPAC name is 3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide.

Molecular Properties

Compound Name3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide
PubChem CID43654466
Molecular FormulaC11H16ClNO2S
Molecular Weight261.77 g/mol
Exact Mass261.06
IUPAC Name3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide
SMILESCc1ccc(NS(=O)(=O)CCCCl)c(C)c1
InChIInChI=1S/C11H16ClNO2S/c1-9-4-5-11(10(2)8-9)13-16(14,15)7-3-6-12/h4-5,8,13H,3,6-7H2,1-2H3
InChIKeyPLKCHXKNCJFEIQ-UHFFFAOYSA-N
XLogP2.67
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.77
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 3-chloro-N-(2,4-dimethylphenyl)propane-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

4-chloro-N-(4-methyl-2-propoxyphenyl)butane-1-sulfonamide
CID 116815843
N-(2,4-dimethylphenyl)-2-(propan-2-ylamino)ethanesulfonamide
CID 54974025
3-chloro-N-(3-hydroxy-2,4-dimethylphenyl)propane-1-sulfonamide
CID 54877724
2-chloro-N-(4-hydroxy-2-methylphenyl)ethanesulfonamide
CID 107652044
4-(4-chlorobutylsulfonylamino)-N-ethyl-3-methylbenzamide
CID 116815851
3-chloro-N-[2-methyl-5-(trifluoromethyl)phenyl]propane-1-sulfonamide
CID 66476430
3-chloro-N-[1-(2,5-dimethylphenyl)ethyl]propane-1-sulfonamide
CID 54877728
N-(2-bromo-5-chloro-4-methylphenyl)-3-chloropropane-1-sulfonamide
CID 104725031
3-chloro-N-(8-methylquinolin-5-yl)propane-1-sulfonamide
CID 54877715
4-chloro-N-(3-methylphenyl)butane-1-sulfonamide
CID 116815142
N-(4-bromo-2-chlorophenyl)-3-chloropropane-1-sulfonamide
CID 43654223
3-chloro-N-(2-methoxyphenyl)propane-1-sulfonamide
CID 43653977

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide?
The IUPAC name of 3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide (CID 43654466) is 3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide.
What is the SMILES notation for 3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide?
The canonical SMILES for 3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide is Cc1ccc(NS(=O)(=O)CCCCl)c(C)c1.
What is the InChIKey of 3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide?
The InChIKey is PLKCHXKNCJFEIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16ClNO2S/c1-9-4-5-11(10(2)8-9)13-16(14,15)7-3-6-12/h4-5,8,13H,3,6-7H2,1-2H3.
What are the key properties of 3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide?
3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide has a molecular weight of 261.77 g/mol, XLogP of 2.67, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-(2,4-dimethylphenyl)propane-1-sulfonamide is sourced from PubChem (CID 43654466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).