2-amino-3,6-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide

C14H17N3O3S — CID 103171310

IUPAC2-amino-3,6-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(=O)n(C)c2)c1N
InChIInChI=1S/C14H17N3O3S/c1-9-4-5-10(2)14(13(9)15)21(19,20)16-11-6-7-12(18)17(3)8-11/h4-8,16H,15H2,1-3H3
InChIKeyUGEXDKGWCNEVDB-UHFFFAOYSA-N
MW307.38 g/mol
LogP1.39
Rot. Bonds3

About 2-amino-3,6-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide

2-amino-3,6-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide (PubChem CID 103171310) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-amino-3,6-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-3,6-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
PubChem CID103171310
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-amino-3,6-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
SMILESCc1ccc(C)c(S(=O)(=O)Nc2ccc(=O)n(C)c2)c1N
InChIInChI=1S/C14H17N3O3S/c1-9-4-5-10(2)14(13(9)15)21(19,20)16-11-6-7-12(18)17(3)8-11/h4-8,16H,15H2,1-3H3
InChIKeyUGEXDKGWCNEVDB-UHFFFAOYSA-N
XLogP1.39
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-amino-6-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 61125702
2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 47389435
2-amino-N-(4-chlorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103170975
3-chloro-4-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 47389543
3-amino-5-chloro-2-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 114379246
3-methyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 47389423
2-amino-N-(4-chloro-3-fluorophenyl)-3,6-dimethylbenzenesulfonamide
CID 103171347
2,5-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)thiophene-3-sulfonamide
CID 47072250
5-amino-3-chloro-2-fluoro-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide
CID 61125327
N-(1-methyl-6-oxo-3-pyridinyl)-6-oxo-1H-pyridine-3-sulfonamide
CID 54867673
2-amino-N-(3-ethylphenyl)-3,6-dimethylbenzenesulfonamide
CID 103171008
2-amino-3,6-dimethyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 103171831

Frequently Asked Questions

What is the IUPAC name of 2-amino-3,6-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-amino-3,6-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide (CID 103171310) is 2-amino-3,6-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-amino-3,6-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-amino-3,6-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide is Cc1ccc(C)c(S(=O)(=O)Nc2ccc(=O)n(C)c2)c1N.
What is the InChIKey of 2-amino-3,6-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
The InChIKey is UGEXDKGWCNEVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c1-9-4-5-10(2)14(13(9)15)21(19,20)16-11-6-7-12(18)17(3)8-11/h4-8,16H,15H2,1-3H3.
What are the key properties of 2-amino-3,6-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide?
2-amino-3,6-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide has a molecular weight of 307.38 g/mol, XLogP of 1.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3,6-dimethyl-N-(1-methyl-6-oxo-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 103171310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).