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

C13H15N3O2S — CID 79889308

IUPAC3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)Nc2cccnc2)c1
InChIInChI=1S/C13H15N3O2S/c1-9-6-12(14)10(2)13(7-9)19(17,18)16-11-4-3-5-15-8-11/h3-8,16H,14H2,1-2H3
InChIKeyXEBHVGPCHSEVAK-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.08
Rot. Bonds3

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

3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide (PubChem CID 79889308) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
PubChem CID79889308
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
SMILESCc1cc(N)c(C)c(S(=O)(=O)Nc2cccnc2)c1
InChIInChI=1S/C13H15N3O2S/c1-9-6-12(14)10(2)13(7-9)19(17,18)16-11-4-3-5-15-8-11/h3-8,16H,14H2,1-2H3
InChIKeyXEBHVGPCHSEVAK-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

3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79889835
3-amino-2,5-dimethyl-N-(4-methylphenyl)benzenesulfonamide
CID 79889224
3-amino-2,5-dimethyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 79885270
3-amino-2,5-dimethyl-N-(2-methyl-3-pyridinyl)benzenesulfonamide
CID 79889757
2-methoxy-4,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide
CID 6472703
3-(aminomethyl)-5-chloro-2-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 106033836
5-chloro-2-methyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033207
3-amino-2,5-diethyl-N-pyridin-3-ylbenzenesulfonamide
CID 107405576
3-amino-N-(4-bromo-3-methylphenyl)-2,5-dimethylbenzenesulfonamide
CID 79884838
5-amino-4-bromo-2-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 116529293
3-amino-5-chloro-2-fluoro-N-pyridin-3-ylbenzenesulfonamide
CID 103050184
3-fluoro-4-methyl-5-(pyridin-3-ylsulfamoyl)benzoic acid
CID 43510389

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide?
The IUPAC name of 3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide (CID 79889308) is 3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide.
What is the SMILES notation for 3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide?
The canonical SMILES for 3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide is Cc1cc(N)c(C)c(S(=O)(=O)Nc2cccnc2)c1.
What is the InChIKey of 3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide?
The InChIKey is XEBHVGPCHSEVAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-6-12(14)10(2)13(7-9)19(17,18)16-11-4-3-5-15-8-11/h3-8,16H,14H2,1-2H3.
What are the key properties of 3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide?
3-amino-2,5-dimethyl-N-pyridin-3-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 3-amino-2,5-dimethyl-N-pyridin-3-ylbenzenesulfonamide is sourced from PubChem (CID 79889308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).