2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide

C13H19Cl2NO3S — CID 3830031

IUPAC2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide
SMILESCCCOCCCNS(=O)(=O)c1cc(C)c(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO3S/c1-3-6-19-7-4-5-16-20(17,18)13-8-10(2)11(14)9-12(13)15/h8-9,16H,3-7H2,1-2H3
InChIKeyACOUQSUBWADKRH-UHFFFAOYSA-N
MW340.27 g/mol
LogP3.40
Rot. Bonds8

About 2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide

2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide (PubChem CID 3830031) has the molecular formula C13H19Cl2NO3S and a molecular weight of 340.27 g/mol. Its IUPAC name is 2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide
PubChem CID3830031
Molecular FormulaC13H19Cl2NO3S
Molecular Weight340.27 g/mol
Exact Mass339.05
IUPAC Name2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide
SMILESCCCOCCCNS(=O)(=O)c1cc(C)c(Cl)cc1Cl
InChIInChI=1S/C13H19Cl2NO3S/c1-3-6-19-7-4-5-16-20(17,18)13-8-10(2)11(14)9-12(13)15/h8-9,16H,3-7H2,1-2H3
InChIKeyACOUQSUBWADKRH-UHFFFAOYSA-N
XLogP3.40
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.27
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-dichloro-5-methyl-N-(3-propoxypropyl)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

5-amino-2-chloro-4-fluoro-N-(3-propoxypropyl)benzenesulfonamide
CID 82949557
2-amino-4,5-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82949556
2,5-dichloro-N-dodecyl-4-methylbenzenesulfonamide
CID 59079350
4-chloro-N-hexyl-2,5-dimethylbenzenesulfonamide
CID 19681262
2-amino-5-chloro-N-(3-propoxypropyl)benzenesulfonamide
CID 82940052
4-amino-2,6-dimethyl-N-(3-propoxypropyl)benzenesulfonamide
CID 82950627
N-but-3-ynyl-2,4-dichloro-5-methylbenzenesulfonamide
CID 56765741
5-chloro-4-methyl-2-propoxy-N-propylbenzenesulfonamide
CID 15943823
2-chloro-4-fluoro-5-methyl-N-propylbenzenesulfonamide
CID 165483617
5-bromo-4-methyl-N-(3-propoxypropyl)thiophene-2-sulfonamide
CID 82944213
5-amino-4-chloro-N-[3-(2-hydroxyethoxy)propyl]-2-methylbenzenesulfonamide
CID 106308667
2-ethoxy-N-(3-ethoxypropyl)-4,5-dimethylbenzenesulfonamide
CID 66486044

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide?
The IUPAC name of 2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide (CID 3830031) is 2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide?
The canonical SMILES for 2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide is CCCOCCCNS(=O)(=O)c1cc(C)c(Cl)cc1Cl.
What is the InChIKey of 2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide?
The InChIKey is ACOUQSUBWADKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19Cl2NO3S/c1-3-6-19-7-4-5-16-20(17,18)13-8-10(2)11(14)9-12(13)15/h8-9,16H,3-7H2,1-2H3.
What are the key properties of 2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide?
2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide has a molecular weight of 340.27 g/mol, XLogP of 3.40, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-5-methyl-N-(3-propoxypropyl)benzenesulfonamide is sourced from PubChem (CID 3830031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).