2-amino-6-methyl-N-(5-methyl-2-pyridinyl)benzenesulfonamide

C13H15N3O2S — CID 43452486

IUPAC2-amino-6-methyl-N-(5-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)cccc2N)nc1
InChIInChI=1S/C13H15N3O2S/c1-9-6-7-12(15-8-9)16-19(17,18)13-10(2)4-3-5-11(13)14/h3-8H,14H2,1-2H3,(H,15,16)
InChIKeyGXGHCILZSUHYKT-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.08
Rot. Bonds3

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

2-amino-6-methyl-N-(5-methyl-2-pyridinyl)benzenesulfonamide (PubChem CID 43452486) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 2-amino-6-methyl-N-(5-methyl-2-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-methyl-N-(5-methyl-2-pyridinyl)benzenesulfonamide
PubChem CID43452486
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name2-amino-6-methyl-N-(5-methyl-2-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2c(C)cccc2N)nc1
InChIInChI=1S/C13H15N3O2S/c1-9-6-7-12(15-8-9)16-19(17,18)13-10(2)4-3-5-11(13)14/h3-8H,14H2,1-2H3,(H,15,16)
InChIKeyGXGHCILZSUHYKT-UHFFFAOYSA-N
XLogP2.08
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-amino-6-methyl-N-(5-methyl-2-pyridinyl)benzenesulfonamide (CID 43452486) is 2-amino-6-methyl-N-(5-methyl-2-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-methyl-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-methyl-N-(5-methyl-2-pyridinyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2c(C)cccc2N)nc1.
What is the InChIKey of 2-amino-6-methyl-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
The InChIKey is GXGHCILZSUHYKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-6-7-12(15-8-9)16-19(17,18)13-10(2)4-3-5-11(13)14/h3-8H,14H2,1-2H3,(H,15,16).
What are the key properties of 2-amino-6-methyl-N-(5-methyl-2-pyridinyl)benzenesulfonamide?
2-amino-6-methyl-N-(5-methyl-2-pyridinyl)benzenesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 2.08, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-N-(5-methyl-2-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 43452486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).