3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide

C15H19N3O2S — CID 106083517

IUPAC3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NCc2ccncc2C)c1
InChIInChI=1S/C15H19N3O2S/c1-12-9-17-7-6-14(12)11-18-21(19,20)15-5-3-4-13(8-15)10-16-2/h3-9,16,18H,10-11H2,1-2H3
InChIKeyTUIXCMWBVLWPMD-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.59
Rot. Bonds6

About 3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide

3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide (PubChem CID 106083517) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide.

Molecular Properties

Compound Name3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
PubChem CID106083517
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)NCc2ccncc2C)c1
InChIInChI=1S/C15H19N3O2S/c1-12-9-17-7-6-14(12)11-18-21(19,20)15-5-3-4-13(8-15)10-16-2/h3-9,16,18H,10-11H2,1-2H3
InChIKeyTUIXCMWBVLWPMD-UHFFFAOYSA-N
XLogP1.59
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 ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-methyl-4-pyridinyl)methylsulfamoyl]benzoic acid
CID 114698508
3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063067
N-[(2-chlorophenyl)methyl]-3-(methylaminomethyl)benzenesulfonamide
CID 106058600
3-bromo-4-chloro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 106546814
4-(cyanomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114700456
N-(3-fluoro-4-pyridinyl)-3-(methylaminomethyl)benzenesulfonamide
CID 106090021
4-(2-chloroethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114701663
3-(aminomethyl)-4-fluoro-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114699441
N-[(3-methyl-4-pyridinyl)methyl]-1H-pyrazole-4-sulfonamide
CID 114701597
N-[(2-methylphenyl)methyl]pyridine-3-sulfonamide
CID 110865640
4-amino-2,6-dimethyl-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide
CID 114698288
ethane;N-methyl-1-(3-methyl-4-pyridinyl)methanamine
CID 144800365

Frequently Asked Questions

What is the IUPAC name of 3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide?
The IUPAC name of 3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide (CID 106083517) is 3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide.
What is the SMILES notation for 3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide?
The canonical SMILES for 3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide is CNCc1cccc(S(=O)(=O)NCc2ccncc2C)c1.
What is the InChIKey of 3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide?
The InChIKey is TUIXCMWBVLWPMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-12-9-17-7-6-14(12)11-18-21(19,20)15-5-3-4-13(8-15)10-16-2/h3-9,16,18H,10-11H2,1-2H3.
What are the key properties of 3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide?
3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(methylaminomethyl)-N-[(3-methyl-4-pyridinyl)methyl]benzenesulfonamide is sourced from PubChem (CID 106083517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).