2,6-dichloro-N,3-dimethylbenzenesulfonamide

C8H9Cl2NO2S — CID 130157612

IUPAC2,6-dichloro-N,3-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C8H9Cl2NO2S/c1-5-3-4-6(9)8(7(5)10)14(12,13)11-2/h3-4,11H,1-2H3
InChIKeyYCYIJYCIUQJFIF-UHFFFAOYSA-N
MW254.14 g/mol
LogP2.21
Rot. Bonds2

About 2,6-dichloro-N,3-dimethylbenzenesulfonamide

2,6-dichloro-N,3-dimethylbenzenesulfonamide (PubChem CID 130157612) has the molecular formula C8H9Cl2NO2S and a molecular weight of 254.14 g/mol. Its IUPAC name is 2,6-dichloro-N,3-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2,6-dichloro-N,3-dimethylbenzenesulfonamide
PubChem CID130157612
Molecular FormulaC8H9Cl2NO2S
Molecular Weight254.14 g/mol
Exact Mass252.97
IUPAC Name2,6-dichloro-N,3-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1c(Cl)ccc(C)c1Cl
InChIInChI=1S/C8H9Cl2NO2S/c1-5-3-4-6(9)8(7(5)10)14(12,13)11-2/h3-4,11H,1-2H3
InChIKeyYCYIJYCIUQJFIF-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

2-chloro-N,6-dimethylbenzenesulfonamide
CID 58436447
N-[3-(aminomethyl)pentan-3-yl]-2,6-dichloro-3-methylbenzenesulfonamide
CID 166232007
4-chloro-N,3-dimethylbenzenesulfonamide
CID 50876568
2,4-dichloro-N,3-dimethylbenzenesulfonamide
CID 50876498
2-chloro-3,6-dimethylbenzenesulfonyl chloride
CID 84799463
1,2-dichloro-3-(2,3-dichloro-6-methylphenyl)sulfonyl-4-methylbenzene
CID 154207405
2-chloro-N,4-dimethylpyridine-3-sulfonamide
CID 130548882
2,6-dichloro-N-(5-cyclopropyl-1,2,4-oxadiazol-3-yl)-3-methylbenzenesulfonamide
CID 146132755
2-chloro-3,6-dimethylbenzenesulfonic acid;hydrochloride
CID 174264022
6-chloro-2,3-dimethylbenzenesulfonyl chloride
CID 84701104
potassium 4-chloro-N-methylbenzenesulfonamide
CID 21293199
3,5-dichloro-N,4-dimethylbenzenesulfonamide
CID 142363303

Frequently Asked Questions

What is the IUPAC name of 2,6-dichloro-N,3-dimethylbenzenesulfonamide?
The IUPAC name of 2,6-dichloro-N,3-dimethylbenzenesulfonamide (CID 130157612) is 2,6-dichloro-N,3-dimethylbenzenesulfonamide.
What is the SMILES notation for 2,6-dichloro-N,3-dimethylbenzenesulfonamide?
The canonical SMILES for 2,6-dichloro-N,3-dimethylbenzenesulfonamide is CNS(=O)(=O)c1c(Cl)ccc(C)c1Cl.
What is the InChIKey of 2,6-dichloro-N,3-dimethylbenzenesulfonamide?
The InChIKey is YCYIJYCIUQJFIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO2S/c1-5-3-4-6(9)8(7(5)10)14(12,13)11-2/h3-4,11H,1-2H3.
What are the key properties of 2,6-dichloro-N,3-dimethylbenzenesulfonamide?
2,6-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 2,6-dichloro-N,3-dimethylbenzenesulfonamide is sourced from PubChem (CID 130157612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).