5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide

C13H15N3O2S — CID 29040045

IUPAC5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2ccncc2)c1C
InChIInChI=1S/C13H15N3O2S/c1-9-7-11(14)8-13(10(9)2)19(17,18)16-12-3-5-15-6-4-12/h3-8H,14H2,1-2H3,(H,15,16)
InChIKeyHSOVXOHYHMYFDR-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.08
Rot. Bonds3

About 5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide

5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 29040045) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide
PubChem CID29040045
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide
SMILESCc1cc(N)cc(S(=O)(=O)Nc2ccncc2)c1C
InChIInChI=1S/C13H15N3O2S/c1-9-7-11(14)8-13(10(9)2)19(17,18)16-12-3-5-15-6-4-12/h3-8H,14H2,1-2H3,(H,15,16)
InChIKeyHSOVXOHYHMYFDR-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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Related Compounds

5-amino-2,3-dimethyl-N-thiophen-3-ylbenzenesulfonamide
CID 66351008
5-amino-2,3-dimethyl-N-pyrazin-2-ylbenzenesulfonamide
CID 43616062
3-amino-5-methyl-N-pyridin-4-ylbenzenesulfonamide
CID 43255782
5-amino-N-(3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 29277276
5-amino-2,3-dimethyl-N-(2-methylphenyl)benzenesulfonamide
CID 29288655
5-amino-N-(4-chloro-3-fluorophenyl)-2,3-dimethylbenzenesulfonamide
CID 61467096
5-amino-3-fluoro-2-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 79897021
5-amino-3-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79896756
5-amino-N-(4-aminophenyl)-2-methylbenzenesulfonamide
CID 57346246
5-amino-N-(4-fluoro-2-iodophenyl)-2,3-dimethylbenzenesulfonamide
CID 79757817
3-bromo-4-methyl-5-(pyridin-4-ylsulfamoyl)benzoic acid
CID 81460556
5-amino-N-(4,5-dimethyl-1,3-thiazol-2-yl)-2,3-dimethylbenzenesulfonamide
CID 61464070

Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide (CID 29040045) is 5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide is Cc1cc(N)cc(S(=O)(=O)Nc2ccncc2)c1C.
What is the InChIKey of 5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is HSOVXOHYHMYFDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-7-11(14)8-13(10(9)2)19(17,18)16-12-3-5-15-6-4-12/h3-8H,14H2,1-2H3,(H,15,16).
What are the key properties of 5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide?
5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide 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 5-amino-2,3-dimethyl-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 29040045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).