N-(6-chloro-2-pyridinyl)-2,3,5,6-tetramethylbenzenesulfonamide

C15H17ClN2O2S — CID 104821325

IUPACN-(6-chloro-2-pyridinyl)-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(Cl)n2)c1C
InChIInChI=1S/C15H17ClN2O2S/c1-9-8-10(2)12(4)15(11(9)3)21(19,20)18-14-7-5-6-13(16)17-14/h5-8H,1-4H3,(H,17,18)
InChIKeyAZLSKHOIAMISPB-UHFFFAOYSA-N
MW324.83 g/mol
LogP3.77
Rot. Bonds3

About N-(6-chloro-2-pyridinyl)-2,3,5,6-tetramethylbenzenesulfonamide

N-(6-chloro-2-pyridinyl)-2,3,5,6-tetramethylbenzenesulfonamide (PubChem CID 104821325) has the molecular formula C15H17ClN2O2S and a molecular weight of 324.83 g/mol. Its IUPAC name is N-(6-chloro-2-pyridinyl)-2,3,5,6-tetramethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-2-pyridinyl)-2,3,5,6-tetramethylbenzenesulfonamide
PubChem CID104821325
Molecular FormulaC15H17ClN2O2S
Molecular Weight324.83 g/mol
Exact Mass324.07
IUPAC NameN-(6-chloro-2-pyridinyl)-2,3,5,6-tetramethylbenzenesulfonamide
SMILESCc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(Cl)n2)c1C
InChIInChI=1S/C15H17ClN2O2S/c1-9-8-10(2)12(4)15(11(9)3)21(19,20)18-14-7-5-6-13(16)17-14/h5-8H,1-4H3,(H,17,18)
InChIKeyAZLSKHOIAMISPB-UHFFFAOYSA-N
XLogP3.77
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.83
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2,3,5,6-tetramethyl-N-pyridin-2-ylbenzenesulfonamide
CID 2147472
N-(6-chloro-2-pyridinyl)-5-fluoro-2-methylbenzenesulfonamide
CID 113456965
N-(6-chloro-2-pyridinyl)-2,5-dimethylthiophene-3-sulfonamide
CID 104821321
N-(6-chloro-2-pyridinyl)-4-methoxybenzenesulfonamide
CID 113456951
2,3-dichloro-N-(6-chloro-2-pyridinyl)benzenesulfonamide
CID 113456961
2,3,5,6-tetramethyl-N-(4-methyl-2-pyridinyl)benzenesulfonamide
CID 6462198
N-(6-chloro-2-pyridinyl)-2,4-dimethoxybenzenesulfonamide
CID 104821363
methyl 3-[(6-chloro-2-pyridinyl)sulfamoyl]benzoate
CID 104821299
N-(6-chloro-2-pyridinyl)-2-methylpyrazole-3-sulfonamide
CID 104821297
N-(6-chloro-2-pyridinyl)-2,5-difluorobenzenesulfonamide
CID 104821362
2,3,5,6-tetramethyl-N-pyrimidin-2-ylbenzenesulfonamide
CID 19683576
N-(6-chloropyrazin-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 104821077

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-2-pyridinyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The IUPAC name of N-(6-chloro-2-pyridinyl)-2,3,5,6-tetramethylbenzenesulfonamide (CID 104821325) is N-(6-chloro-2-pyridinyl)-2,3,5,6-tetramethylbenzenesulfonamide.
What is the SMILES notation for N-(6-chloro-2-pyridinyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The canonical SMILES for N-(6-chloro-2-pyridinyl)-2,3,5,6-tetramethylbenzenesulfonamide is Cc1cc(C)c(C)c(S(=O)(=O)Nc2cccc(Cl)n2)c1C.
What is the InChIKey of N-(6-chloro-2-pyridinyl)-2,3,5,6-tetramethylbenzenesulfonamide?
The InChIKey is AZLSKHOIAMISPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN2O2S/c1-9-8-10(2)12(4)15(11(9)3)21(19,20)18-14-7-5-6-13(16)17-14/h5-8H,1-4H3,(H,17,18).
What are the key properties of N-(6-chloro-2-pyridinyl)-2,3,5,6-tetramethylbenzenesulfonamide?
N-(6-chloro-2-pyridinyl)-2,3,5,6-tetramethylbenzenesulfonamide has a molecular weight of 324.83 g/mol, XLogP of 3.77, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-2-pyridinyl)-2,3,5,6-tetramethylbenzenesulfonamide is sourced from PubChem (CID 104821325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).