4-[2-(methylamino)ethyl]-N-(6-methyl-3-pyridinyl)benzenesulfonamide

C15H19N3O2S — CID 106073262

IUPAC4-[2-(methylamino)ethyl]-N-(6-methyl-3-pyridinyl)benzenesulfonamide
SMILESCNCCc1ccc(S(=O)(=O)Nc2ccc(C)nc2)cc1
InChIInChI=1S/C15H19N3O2S/c1-12-3-6-14(11-17-12)18-21(19,20)15-7-4-13(5-8-15)9-10-16-2/h3-8,11,16,18H,9-10H2,1-2H3
InChIKeyIKOBREHXLBUACZ-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.95
Rot. Bonds6

About 4-[2-(methylamino)ethyl]-N-(6-methyl-3-pyridinyl)benzenesulfonamide

4-[2-(methylamino)ethyl]-N-(6-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 106073262) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-[2-(methylamino)ethyl]-N-(6-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(methylamino)ethyl]-N-(6-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID106073262
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-[2-(methylamino)ethyl]-N-(6-methyl-3-pyridinyl)benzenesulfonamide
SMILESCNCCc1ccc(S(=O)(=O)Nc2ccc(C)nc2)cc1
InChIInChI=1S/C15H19N3O2S/c1-12-3-6-14(11-17-12)18-21(19,20)15-7-4-13(5-8-15)9-10-16-2/h3-8,11,16,18H,9-10H2,1-2H3
InChIKeyIKOBREHXLBUACZ-UHFFFAOYSA-N
XLogP1.95
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 84581619
N-(4-chlorophenyl)-4-[2-(methylamino)ethyl]benzenesulfonamide
CID 106060850
4-[2-(methylamino)ethyl]-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 106061084
4-[3-(methylamino)propyl]-N-pyrimidin-5-ylbenzenesulfonamide
CID 106088550
4-[2-(methylamino)ethyl]-N-thiophen-3-ylbenzenesulfonamide
CID 106070098
4-(aminomethyl)-2-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 106997067
4-(methylaminomethyl)-N-(6-methyl-3-pyridinyl)-1H-pyrazole-5-sulfonamide
CID 106073192
N-(2-methyl-4-pyridinyl)-4-propylbenzenesulfonamide
CID 110757506
4-hydroxy-N-(6-methyl-3-pyridinyl)-3-nitrobenzenesulfonamide
CID 81496749
N-(6-methyl-3-pyridinyl)-5-(propylaminomethyl)-1H-pyrrole-3-sulfonamide
CID 106073264
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
N-[4-(methylsulfamoyl)phenyl]-4-propylbenzenesulfonamide;molecular hydrogen
CID 177246502

Frequently Asked Questions

What is the IUPAC name of 4-[2-(methylamino)ethyl]-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-[2-(methylamino)ethyl]-N-(6-methyl-3-pyridinyl)benzenesulfonamide (CID 106073262) is 4-[2-(methylamino)ethyl]-N-(6-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-[2-(methylamino)ethyl]-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-[2-(methylamino)ethyl]-N-(6-methyl-3-pyridinyl)benzenesulfonamide is CNCCc1ccc(S(=O)(=O)Nc2ccc(C)nc2)cc1.
What is the InChIKey of 4-[2-(methylamino)ethyl]-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is IKOBREHXLBUACZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-12-3-6-14(11-17-12)18-21(19,20)15-7-4-13(5-8-15)9-10-16-2/h3-8,11,16,18H,9-10H2,1-2H3.
What are the key properties of 4-[2-(methylamino)ethyl]-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
4-[2-(methylamino)ethyl]-N-(6-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(methylamino)ethyl]-N-(6-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 106073262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).