2,3-dichloro-4-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide

C18H21Cl2NO3S — CID 133217876

IUPAC2,3-dichloro-4-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2cc(C)c(C)cc2C)c(Cl)c1Cl
InChIInChI=1S/C18H21Cl2NO3S/c1-10-8-12(3)14(9-11(10)2)13(4)21-25(22,23)16-7-6-15(24-5)17(19)18(16)20/h6-9,13,21H,1-5H3
InChIKeyPSZPDVFRJQDMCK-UHFFFAOYSA-N
MW402.34 g/mol
LogP4.97
Rot. Bonds5

About 2,3-dichloro-4-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide

2,3-dichloro-4-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide (PubChem CID 133217876) has the molecular formula C18H21Cl2NO3S and a molecular weight of 402.34 g/mol. Its IUPAC name is 2,3-dichloro-4-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name2,3-dichloro-4-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
PubChem CID133217876
Molecular FormulaC18H21Cl2NO3S
Molecular Weight402.34 g/mol
Exact Mass401.06
IUPAC Name2,3-dichloro-4-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)c2cc(C)c(C)cc2C)c(Cl)c1Cl
InChIInChI=1S/C18H21Cl2NO3S/c1-10-8-12(3)14(9-11(10)2)13(4)21-25(22,23)16-7-6-15(24-5)17(19)18(16)20/h6-9,13,21H,1-5H3
InChIKeyPSZPDVFRJQDMCK-UHFFFAOYSA-N
XLogP4.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.34
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,3-dichloro-4-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]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

2,3-dichloro-N-[1-(2,4-dimethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 43907923
2,5-dimethoxy-N-[(1R)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404832
3,4-dimethoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 133217933
3-chloro-4-ethoxy-N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404935
5-chloro-N-[1-(2,4-dimethylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 133201694
2,3-dichloro-N-[1-(2,3-dihydro-1H-inden-5-yl)ethyl]-4-methoxybenzenesulfonamide
CID 133188758
N-[2-methoxy-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]phenyl]acetamide
CID 43906499
2,3-dichloro-N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethyl]-4-methoxybenzenesulfonamide
CID 133165105
2-methoxy-N-propan-2-yl-5-[1-(2,4,5-trimethylphenyl)ethylsulfamoyl]benzamide
CID 133220057
N-[(1S)-1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide
CID 30404849
3-chloro-N-[(1R)-1-(2,4-dimethylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 92675602
3-iodo-4-methoxy-N-[1-(4-methoxy-2-methyl-5-propan-2-ylphenyl)ethyl]benzenesulfonamide
CID 133186440

Frequently Asked Questions

What is the IUPAC name of 2,3-dichloro-4-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 2,3-dichloro-4-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide (CID 133217876) is 2,3-dichloro-4-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 2,3-dichloro-4-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 2,3-dichloro-4-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)c2cc(C)c(C)cc2C)c(Cl)c1Cl.
What is the InChIKey of 2,3-dichloro-4-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide?
The InChIKey is PSZPDVFRJQDMCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21Cl2NO3S/c1-10-8-12(3)14(9-11(10)2)13(4)21-25(22,23)16-7-6-15(24-5)17(19)18(16)20/h6-9,13,21H,1-5H3.
What are the key properties of 2,3-dichloro-4-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide?
2,3-dichloro-4-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide has a molecular weight of 402.34 g/mol, XLogP of 4.97, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dichloro-4-methoxy-N-[1-(2,4,5-trimethylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 133217876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).