2,5-dichloro-4-methoxy-N-(2-methylphenyl)benzenesulfonamide

C14H13Cl2NO3S — CID 1258973

IUPAC2,5-dichloro-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
SMILESCOc1cc(Cl)c(S(=O)(=O)Nc2ccccc2C)cc1Cl
InChIInChI=1S/C14H13Cl2NO3S/c1-9-5-3-4-6-12(9)17-21(18,19)14-8-10(15)13(20-2)7-11(14)16/h3-8,17H,1-2H3
InChIKeyJNCWVERHMMETMH-UHFFFAOYSA-N
MW346.24 g/mol
LogP4.11
Rot. Bonds4

About 2,5-dichloro-4-methoxy-N-(2-methylphenyl)benzenesulfonamide

2,5-dichloro-4-methoxy-N-(2-methylphenyl)benzenesulfonamide (PubChem CID 1258973) has the molecular formula C14H13Cl2NO3S and a molecular weight of 346.24 g/mol. Its IUPAC name is 2,5-dichloro-4-methoxy-N-(2-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound Name2,5-dichloro-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
PubChem CID1258973
Molecular FormulaC14H13Cl2NO3S
Molecular Weight346.24 g/mol
Exact Mass345.00
IUPAC Name2,5-dichloro-4-methoxy-N-(2-methylphenyl)benzenesulfonamide
SMILESCOc1cc(Cl)c(S(=O)(=O)Nc2ccccc2C)cc1Cl
InChIInChI=1S/C14H13Cl2NO3S/c1-9-5-3-4-6-12(9)17-21(18,19)14-8-10(15)13(20-2)7-11(14)16/h3-8,17H,1-2H3
InChIKeyJNCWVERHMMETMH-UHFFFAOYSA-N
XLogP4.11
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.24
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-dichloro-4-methoxy-N-(2-methylphenyl)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

4-chloro-2,5-dimethoxy-N-(2-methylphenyl)benzenesulfonamide
CID 163343299
2,5-dichloro-4-methoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 138042252
2,5-dichloro-N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 1005068
5-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 27993653
N-(4-chloro-2,5-dimethoxyphenyl)benzenesulfonamide
CID 710996
2-bromo-4,5-dichloro-N-(2-methoxyphenyl)benzenesulfonamide
CID 50876952
5-tert-butyl-N-(5-chloro-2,4-dimethoxyphenyl)-2-methylbenzenesulfonamide
CID 7938313
7-chloro-4-methyl-N-(2-methylphenyl)-2-oxo-1H-quinoline-6-sulfonamide
CID 99978057
5-chloro-N-(2-ethoxyphenyl)-2-methoxy-4-methylbenzenesulfonamide
CID 9267445
4-bromo-N-(4-chloro-2,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 171699229
2-chloro-4-cyano-N-(2-methylphenyl)benzenesulfonamide
CID 103988459
N-(4-acetylphenyl)-2,5-dichloro-4-methoxybenzenesulfonamide
CID 138998155

Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-4-methoxy-N-(2-methylphenyl)benzenesulfonamide?
The IUPAC name of 2,5-dichloro-4-methoxy-N-(2-methylphenyl)benzenesulfonamide (CID 1258973) is 2,5-dichloro-4-methoxy-N-(2-methylphenyl)benzenesulfonamide.
What is the SMILES notation for 2,5-dichloro-4-methoxy-N-(2-methylphenyl)benzenesulfonamide?
The canonical SMILES for 2,5-dichloro-4-methoxy-N-(2-methylphenyl)benzenesulfonamide is COc1cc(Cl)c(S(=O)(=O)Nc2ccccc2C)cc1Cl.
What is the InChIKey of 2,5-dichloro-4-methoxy-N-(2-methylphenyl)benzenesulfonamide?
The InChIKey is JNCWVERHMMETMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2NO3S/c1-9-5-3-4-6-12(9)17-21(18,19)14-8-10(15)13(20-2)7-11(14)16/h3-8,17H,1-2H3.
What are the key properties of 2,5-dichloro-4-methoxy-N-(2-methylphenyl)benzenesulfonamide?
2,5-dichloro-4-methoxy-N-(2-methylphenyl)benzenesulfonamide has a molecular weight of 346.24 g/mol, XLogP of 4.11, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-4-methoxy-N-(2-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 1258973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).