3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide

C13H14ClN3O2S — CID 65491849

IUPAC3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)ccnc2Cl)cc1N
InChIInChI=1S/C13H14ClN3O2S/c1-8-3-4-10(7-11(8)15)20(18,19)17-12-9(2)5-6-16-13(12)14/h3-7,17H,15H2,1-2H3
InChIKeyBJRLMOVECCZKBP-UHFFFAOYSA-N
MW311.79 g/mol
LogP2.73
Rot. Bonds3

About 3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide

3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide (PubChem CID 65491849) has the molecular formula C13H14ClN3O2S and a molecular weight of 311.79 g/mol. Its IUPAC name is 3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide
PubChem CID65491849
Molecular FormulaC13H14ClN3O2S
Molecular Weight311.79 g/mol
Exact Mass311.05
IUPAC Name3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2c(C)ccnc2Cl)cc1N
InChIInChI=1S/C13H14ClN3O2S/c1-8-3-4-10(7-11(8)15)20(18,19)17-12-9(2)5-6-16-13(12)14/h3-7,17H,15H2,1-2H3
InChIKeyBJRLMOVECCZKBP-UHFFFAOYSA-N
XLogP2.73
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.79
LogP ≤ 52.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-amino-3-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65489469
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65488884
2-amino-5-chloro-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65491458
2-chloro-N-(2-chloro-4-methyl-3-pyridinyl)pyrimidine-5-sulfonamide
CID 65489476
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,5-dimethylbenzenesulfonamide
CID 79885317
2-amino-4-bromo-N-(2-chloro-4-methyl-3-pyridinyl)benzenesulfonamide
CID 65490667
3-amino-N-(1H-imidazol-2-yl)-4-methylbenzenesulfonamide
CID 63562930
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2-fluoro-3-methylbenzenesulfonamide
CID 80641824
5-amino-N-(2-chloro-4-methyl-3-pyridinyl)-2,3-difluorobenzenesulfonamide
CID 65489076
3-amino-4-methyl-N-pyrimidin-5-ylbenzenesulfonamide
CID 107587481
3-amino-4-methyl-N-(thiadiazol-5-yl)benzenesulfonamide
CID 114911645
2,5-dichloro-N-(2-chloro-4-methyl-3-pyridinyl)thiophene-3-sulfonamide
CID 114051247

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide?
The IUPAC name of 3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide (CID 65491849) is 3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide.
What is the SMILES notation for 3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide?
The canonical SMILES for 3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2c(C)ccnc2Cl)cc1N.
What is the InChIKey of 3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide?
The InChIKey is BJRLMOVECCZKBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN3O2S/c1-8-3-4-10(7-11(8)15)20(18,19)17-12-9(2)5-6-16-13(12)14/h3-7,17H,15H2,1-2H3.
What are the key properties of 3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide?
3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide has a molecular weight of 311.79 g/mol, XLogP of 2.73, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-(2-chloro-4-methyl-3-pyridinyl)-4-methylbenzenesulfonamide is sourced from PubChem (CID 65491849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).