3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide

C14H17N3O2S — CID 79889835

IUPAC3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)Nc2ccncc2C)c1
InChIInChI=1S/C14H17N3O2S/c1-9-6-12(15)11(3)14(7-9)20(18,19)17-13-4-5-16-8-10(13)2/h4-8H,15H2,1-3H3,(H,16,17)
InChIKeyWSARXOUABMGLCE-UHFFFAOYSA-N
MW291.38 g/mol
LogP2.39
Rot. Bonds3

About 3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide

3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide (PubChem CID 79889835) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
PubChem CID79889835
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)Nc2ccncc2C)c1
InChIInChI=1S/C14H17N3O2S/c1-9-6-12(15)11(3)14(7-9)20(18,19)17-13-4-5-16-8-10(13)2/h4-8H,15H2,1-3H3,(H,16,17)
InChIKeyWSARXOUABMGLCE-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

3-amino-5-bromo-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 114379639
5-amino-3-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79896756
3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 79889308
3-amino-2,5-dimethyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79889757
4-amino-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667957
5-amino-2-chloro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63667966
2-amino-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide
CID 63672409
4-amino-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 63669666
3-amino-N-(2-chloro-4-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 79885869
2,5-dibromo-4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 80708249
5-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 86768448
4-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 66524316

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide (CID 79889835) is 3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)Nc2ccncc2C)c1.
What is the InChIKey of 3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The InChIKey is WSARXOUABMGLCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-9-6-12(15)11(3)14(7-9)20(18,19)17-13-4-5-16-8-10(13)2/h4-8H,15H2,1-3H3,(H,16,17).
What are the key properties of 3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
3-amino-2,5-dimethyl-N-(3-methyl-4-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 3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 79889835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).