4-ethyl-3-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide

C15H19N3O2S — CID 106082502

IUPAC4-ethyl-3-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccccn2)cc1CNC
InChIInChI=1S/C15H19N3O2S/c1-3-12-7-8-14(10-13(12)11-16-2)21(19,20)18-15-6-4-5-9-17-15/h4-10,16H,3,11H2,1-2H3,(H,17,18)
InChIKeyJHYACFNFPQXJAQ-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.16
Rot. Bonds6

About 4-ethyl-3-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide

4-ethyl-3-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 106082502) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-ethyl-3-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-ethyl-3-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
PubChem CID106082502
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-ethyl-3-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccccn2)cc1CNC
InChIInChI=1S/C15H19N3O2S/c1-3-12-7-8-14(10-13(12)11-16-2)21(19,20)18-15-6-4-5-9-17-15/h4-10,16H,3,11H2,1-2H3,(H,17,18)
InChIKeyJHYACFNFPQXJAQ-UHFFFAOYSA-N
XLogP2.16
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 ≤ 52.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethyl-3-(methylaminomethyl)-N-pyridin-3-ylbenzenesulfonamide
CID 106033343
3-(aminomethyl)-4-chloro-N-pyridin-2-ylbenzenesulfonamide
CID 106082593
4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 106084156
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
3,5-difluoro-N-pyridin-2-ylbenzenesulfonamide
CID 142789105
3-(propylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082573
4-(2-methylbutan-2-yl)-N-pyridin-2-ylbenzenesulfonamide
CID 3809998
4-chloro-3-methoxy-N-pyridin-2-ylbenzenesulfonamide
CID 674105
2-(ethylamino)-N-pyridin-2-ylpyrimidine-5-sulfonamide
CID 62149006
2-(methylaminomethyl)-N-pyridin-2-ylthiophene-3-sulfonamide
CID 114142231
4-[(4-ethoxyphenyl)sulfonylamino]-N-pyridin-2-ylbenzenesulfonamide
CID 92674441
N-[4-(pyridin-2-ylsulfamoyl)phenyl]propanamide
CID 725106

Frequently Asked Questions

What is the IUPAC name of 4-ethyl-3-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-ethyl-3-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide (CID 106082502) is 4-ethyl-3-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-ethyl-3-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-ethyl-3-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccccn2)cc1CNC.
What is the InChIKey of 4-ethyl-3-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is JHYACFNFPQXJAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-12-7-8-14(10-13(12)11-16-2)21(19,20)18-15-6-4-5-9-17-15/h4-10,16H,3,11H2,1-2H3,(H,17,18).
What are the key properties of 4-ethyl-3-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide?
4-ethyl-3-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.16, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethyl-3-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 106082502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).