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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Related Compounds

N-butan-2-yl-2,4-dichloro-3-methylbenzenesulfonamide
CID 45100351
2,4-dichloro-3-methyl-N-(2,2,6,6-tetramethylpiperidin-4-yl)benzenesulfonamide
CID 47002036
4-chloro-1-N,2-N-dimethylbenzene-1,2-disulfonamide
CID 124926790
2,6-dichloro-N,3-dimethylbenzenesulfonamide
CID 130157612
1-(2,4-dichloro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 775480
4-(2,4-dichloro-3-methylphenyl)sulfonylmorpholine
CID 881417
3,5-dichloro-N,4-dimethylbenzenesulfonamide
CID 142363303
4-chloro-N,3-dimethylbenzenesulfonamide
CID 50876568
3-(N-(2,4-dichloro-3-methylphenyl)sulfonylanilino)propanoic acid
CID 69334177
ethyl (3R)-3-[(2,4-dichloro-3-methylphenyl)sulfonylamino]-3-(4-methylphenyl)propanoate
CID 40844974
2-bromo-3-chloro-N-methylbenzenesulfonamide
CID 130173119
2,3,4-trichloro-N-propan-2-ylbenzenesulfonamide
CID 19782295

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).