6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide

C14H17N3O2S — CID 107584499

IUPAC6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cncc(NS(=O)(=O)c2c(N)ccc(C)c2C)c1
InChIInChI=1S/C14H17N3O2S/c1-9-6-12(8-16-7-9)17-20(18,19)14-11(3)10(2)4-5-13(14)15/h4-8,17H,15H2,1-3H3
InChIKeyXECAKKRFKLVRFK-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.39
Rot. Bonds3

About 6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide

6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 107584499) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID107584499
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1cncc(NS(=O)(=O)c2c(N)ccc(C)c2C)c1
InChIInChI=1S/C14H17N3O2S/c1-9-6-12(8-16-7-9)17-20(18,19)14-11(3)10(2)4-5-13(14)15/h4-8,17H,15H2,1-3H3
InChIKeyXECAKKRFKLVRFK-UHFFFAOYSA-N
XLogP2.39
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

6-amino-2,3-dimethyl-N-(1,2-oxazol-4-yl)benzenesulfonamide
CID 62903477
6-amino-N-(4-bromophenyl)-2,3-dimethylbenzenesulfonamide
CID 43257564
6-amino-N-(3,4-dichlorophenyl)-2,3-dimethylbenzenesulfonamide
CID 43258376
4-amino-3-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584526
6-amino-2,3-dimethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329763
3-amino-N-(3,5-dimethylphenyl)-2,6-dimethylbenzenesulfonamide
CID 43257720
2-amino-N-(5-methyl-3-pyridinyl)-5-nitrobenzenesulfonamide
CID 107586582
6-amino-N-(2,4-dibromophenyl)-2,3-dimethylbenzenesulfonamide
CID 61471930
6-amino-N-(5-bromo-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide
CID 60785111
6-amino-N-(2-fluoro-5-methylphenyl)-2,3-dimethylbenzenesulfonamide
CID 43258725
5-amino-2-bromo-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584553
3-amino-4-methoxy-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584520

Frequently Asked Questions

What is the IUPAC name of 6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide (CID 107584499) is 6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide is Cc1cncc(NS(=O)(=O)c2c(N)ccc(C)c2C)c1.
What is the InChIKey of 6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is XECAKKRFKLVRFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-6-12(8-16-7-9)17-20(18,19)14-11(3)10(2)4-5-13(14)15/h4-8,17H,15H2,1-3H3.
What are the key properties of 6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide?
6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2,3-dimethyl-N-(5-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 107584499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).