2,4-dichloro-N,3-dimethylbenzenesulfonamide

C8H9Cl2NO2S — CID 50876498

IUPAC2,4-dichloro-N,3-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(C)c1Cl
InChIInChI=1S/C8H9Cl2NO2S/c1-5-6(9)3-4-7(8(5)10)14(12,13)11-2/h3-4,11H,1-2H3
InChIKeyORAPTNDIBNXKGL-UHFFFAOYSA-N
MW254.14 g/mol
LogP2.21
Rot. Bonds2

About 2,4-dichloro-N,3-dimethylbenzenesulfonamide

2,4-dichloro-N,3-dimethylbenzenesulfonamide (PubChem CID 50876498) has the molecular formula C8H9Cl2NO2S and a molecular weight of 254.14 g/mol. Its IUPAC name is 2,4-dichloro-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2,4-dichloro-N,3-dimethylbenzenesulfonamide
PubChem CID50876498
Molecular FormulaC8H9Cl2NO2S
Molecular Weight254.14 g/mol
Exact Mass252.97
IUPAC Name2,4-dichloro-N,3-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(Cl)c(C)c1Cl
InChIInChI=1S/C8H9Cl2NO2S/c1-5-6(9)3-4-7(8(5)10)14(12,13)11-2/h3-4,11H,1-2H3
InChIKeyORAPTNDIBNXKGL-UHFFFAOYSA-N
XLogP2.21
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.14
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N,3-dimethylbenzenesulfonamide?
The IUPAC name of 2,4-dichloro-N,3-dimethylbenzenesulfonamide (CID 50876498) is 2,4-dichloro-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 2,4-dichloro-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for 2,4-dichloro-N,3-dimethylbenzenesulfonamide is CNS(=O)(=O)c1ccc(Cl)c(C)c1Cl.
What is the InChIKey of 2,4-dichloro-N,3-dimethylbenzenesulfonamide?
The InChIKey is ORAPTNDIBNXKGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO2S/c1-5-6(9)3-4-7(8(5)10)14(12,13)11-2/h3-4,11H,1-2H3.
What are the key properties of 2,4-dichloro-N,3-dimethylbenzenesulfonamide?
2,4-dichloro-N,3-dimethylbenzenesulfonamide has a molecular weight of 254.14 g/mol, XLogP of 2.21, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 50876498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).