N-(4-chloro-3-pyridinyl)-3,5-dimethylbenzenesulfonamide

C13H13ClN2O2S — CID 114051868

IUPACN-(4-chloro-3-pyridinyl)-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)Nc2cnccc2Cl)c1
InChIInChI=1S/C13H13ClN2O2S/c1-9-5-10(2)7-11(6-9)19(17,18)16-13-8-15-4-3-12(13)14/h3-8,16H,1-2H3
InChIKeyJHIQVKZINNXZDD-UHFFFAOYSA-N
MW296.78 g/mol
LogP3.15
Rot. Bonds3

About N-(4-chloro-3-pyridinyl)-3,5-dimethylbenzenesulfonamide

N-(4-chloro-3-pyridinyl)-3,5-dimethylbenzenesulfonamide (PubChem CID 114051868) has the molecular formula C13H13ClN2O2S and a molecular weight of 296.78 g/mol. Its IUPAC name is N-(4-chloro-3-pyridinyl)-3,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(4-chloro-3-pyridinyl)-3,5-dimethylbenzenesulfonamide
PubChem CID114051868
Molecular FormulaC13H13ClN2O2S
Molecular Weight296.78 g/mol
Exact Mass296.04
IUPAC NameN-(4-chloro-3-pyridinyl)-3,5-dimethylbenzenesulfonamide
SMILESCc1cc(C)cc(S(=O)(=O)Nc2cnccc2Cl)c1
InChIInChI=1S/C13H13ClN2O2S/c1-9-5-10(2)7-11(6-9)19(17,18)16-13-8-15-4-3-12(13)14/h3-8,16H,1-2H3
InChIKeyJHIQVKZINNXZDD-UHFFFAOYSA-N
XLogP3.15
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.78
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329939
5-amino-N-(4-chloro-3-pyridinyl)-2-methylbenzenesulfonamide
CID 83165893
N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
CID 114051867
3-chloro-N-(4-chloro-3-pyridinyl)-4-cyanobenzenesulfonamide
CID 103745721
4-[(4-chloro-3-pyridinyl)sulfamoyl]-1-methylpyrrole-2-carboxylic acid
CID 83165045
4-bromo-2,6-dichloro-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83167871
N-(4-chloro-3-pyridinyl)-5-methyl-1H-pyrazole-4-sulfonamide
CID 83167318
2,5-dichloro-N-(4-chloro-3-pyridinyl)thiophene-3-sulfonamide
CID 114051881
4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 115330084
4-amino-2-bromo-N-(4-chloro-3-pyridinyl)benzenesulfonamide
CID 83165562
3-amino-4-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201502
N-(4-chloro-3-pyridinyl)-1,3,5-trimethylpyrazole-4-sulfonamide
CID 114051879

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-3-pyridinyl)-3,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(4-chloro-3-pyridinyl)-3,5-dimethylbenzenesulfonamide (CID 114051868) is N-(4-chloro-3-pyridinyl)-3,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(4-chloro-3-pyridinyl)-3,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(4-chloro-3-pyridinyl)-3,5-dimethylbenzenesulfonamide is Cc1cc(C)cc(S(=O)(=O)Nc2cnccc2Cl)c1.
What is the InChIKey of N-(4-chloro-3-pyridinyl)-3,5-dimethylbenzenesulfonamide?
The InChIKey is JHIQVKZINNXZDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN2O2S/c1-9-5-10(2)7-11(6-9)19(17,18)16-13-8-15-4-3-12(13)14/h3-8,16H,1-2H3.
What are the key properties of N-(4-chloro-3-pyridinyl)-3,5-dimethylbenzenesulfonamide?
N-(4-chloro-3-pyridinyl)-3,5-dimethylbenzenesulfonamide has a molecular weight of 296.78 g/mol, XLogP of 3.15, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-3-pyridinyl)-3,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 114051868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).