2-chloro-N,6-dimethylbenzenesulfonamide

C8H10ClNO2S — CID 58436447

IUPAC2-chloro-N,6-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1c(C)cccc1Cl
InChIInChI=1S/C8H10ClNO2S/c1-6-4-3-5-7(9)8(6)13(11,12)10-2/h3-5,10H,1-2H3
InChIKeyFXABJTFSXFRWNU-UHFFFAOYSA-N
MW219.69 g/mol
LogP1.56
Rot. Bonds2

About 2-chloro-N,6-dimethylbenzenesulfonamide

2-chloro-N,6-dimethylbenzenesulfonamide (PubChem CID 58436447) has the molecular formula C8H10ClNO2S and a molecular weight of 219.69 g/mol. Its IUPAC name is 2-chloro-N,6-dimethylbenzenesulfonamide.

Molecular Properties

Compound Name2-chloro-N,6-dimethylbenzenesulfonamide
PubChem CID58436447
Molecular FormulaC8H10ClNO2S
Molecular Weight219.69 g/mol
Exact Mass219.01
IUPAC Name2-chloro-N,6-dimethylbenzenesulfonamide
SMILESCNS(=O)(=O)c1c(C)cccc1Cl
InChIInChI=1S/C8H10ClNO2S/c1-6-4-3-5-7(9)8(6)13(11,12)10-2/h3-5,10H,1-2H3
InChIKeyFXABJTFSXFRWNU-UHFFFAOYSA-N
XLogP1.56
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.69
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2,6-dichloro-N,3-dimethylbenzenesulfonamide
CID 130157612
2-chloro-N-[2-(2-chlorophenyl)ethyl]-6-methylbenzenesulfonamide
CID 146256445
N,2-dimethyl-6-nitrobenzenesulfonamide
CID 43446418
2-chloro-N,4-dimethylpyridine-3-sulfonamide
CID 130548882
N-(2-chloro-6-methylphenyl)sulfonyl-3-methyl-1,2-thiazole-4-carboxamide
CID 75477957
2-bromo-3-chloro-N-methylbenzenesulfonamide
CID 130173119
2-[1-[(2-chloro-6-methylphenyl)sulfonylamino]cyclobutyl]acetic acid
CID 166283600
N-tert-butyl-2,6-dichlorobenzenesulfonamide
CID 3331531
2-chloro-N'-[1-[(1,1,1,3,3,3-hexafluoro-2-methylpropan-2-yl)amino]ethenyl]-6-methylbenzenesulfonohydrazide
CID 162603750
2,6-dichloro-N-[3-(methylamino)propyl]benzenesulfonamide
CID 43606022
4-chloro-N,3-dimethylbenzenesulfonamide
CID 50876568
2-chloro-6-methyl-N-[(3S)-2-oxo-1-phenylpyrrolidin-3-yl]benzenesulfonamide
CID 95101432

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N,6-dimethylbenzenesulfonamide?
The IUPAC name of 2-chloro-N,6-dimethylbenzenesulfonamide (CID 58436447) is 2-chloro-N,6-dimethylbenzenesulfonamide.
What is the SMILES notation for 2-chloro-N,6-dimethylbenzenesulfonamide?
The canonical SMILES for 2-chloro-N,6-dimethylbenzenesulfonamide is CNS(=O)(=O)c1c(C)cccc1Cl.
What is the InChIKey of 2-chloro-N,6-dimethylbenzenesulfonamide?
The InChIKey is FXABJTFSXFRWNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10ClNO2S/c1-6-4-3-5-7(9)8(6)13(11,12)10-2/h3-5,10H,1-2H3.
What are the key properties of 2-chloro-N,6-dimethylbenzenesulfonamide?
2-chloro-N,6-dimethylbenzenesulfonamide has a molecular weight of 219.69 g/mol, XLogP of 1.56, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N,6-dimethylbenzenesulfonamide is sourced from PubChem (CID 58436447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).