N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide

C14H15ClN2O2S — CID 103744880

IUPACN-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cnc(Cl)c(C)c2)c1
InChIInChI=1S/C14H15ClN2O2S/c1-9-4-5-10(2)13(6-9)20(18,19)17-12-7-11(3)14(15)16-8-12/h4-8,17H,1-3H3
InChIKeyHDJDGLIPXZLXBX-UHFFFAOYSA-N
MW310.81 g/mol
LogP3.46
Rot. Bonds3

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

N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide (PubChem CID 103744880) has the molecular formula C14H15ClN2O2S and a molecular weight of 310.81 g/mol. Its IUPAC name is N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
PubChem CID103744880
Molecular FormulaC14H15ClN2O2S
Molecular Weight310.81 g/mol
Exact Mass310.05
IUPAC NameN-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2cnc(Cl)c(C)c2)c1
InChIInChI=1S/C14H15ClN2O2S/c1-9-4-5-10(2)13(6-9)20(18,19)17-12-7-11(3)14(15)16-8-12/h4-8,17H,1-3H3
InChIKeyHDJDGLIPXZLXBX-UHFFFAOYSA-N
XLogP3.46
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.81
LogP ≤ 53.46
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

5-chloro-N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103744848
N-(6-chloro-5-methyl-3-pyridinyl)-2-methylbenzenesulfonamide
CID 103744916
N-(6-chloro-5-methyl-3-pyridinyl)-2-fluorobenzenesulfonamide
CID 103744911
N-(6-chloro-5-methyl-3-pyridinyl)-4-iodobenzenesulfonamide
CID 103744866
N-(5-chloro-2-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 8523459
N-(5-bromo-6-chloro-3-pyridinyl)-2-chloro-4-methylbenzenesulfonamide
CID 104826717
N-[5-(4-chloroanilino)-2-pyridinyl]-2,5-dimethylbenzenesulfonamide
CID 113033426
2,5-dimethyl-N-[6-(propan-2-ylamino)-3-pyridinyl]benzenesulfonamide
CID 113009175
N-[4-[(4-chlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202628
N-[4-[(3,4-dichlorophenyl)sulfamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 22202667
4-bromo-N-(6-chloro-5-methyl-3-pyridinyl)-3-methylbenzenesulfonamide
CID 103744901
N-(3,5-dimethoxyphenyl)-2,5-dimethylbenzenesulfonamide
CID 6467501

Frequently Asked Questions

What is the IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide (CID 103744880) is N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2cnc(Cl)c(C)c2)c1.
What is the InChIKey of N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide?
The InChIKey is HDJDGLIPXZLXBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN2O2S/c1-9-4-5-10(2)13(6-9)20(18,19)17-12-7-11(3)14(15)16-8-12/h4-8,17H,1-3H3.
What are the key properties of N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide?
N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide has a molecular weight of 310.81 g/mol, XLogP of 3.46, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(6-chloro-5-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 103744880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).