4-(aminomethyl)-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide

C14H17N3O2S — CID 106919095

IUPAC4-(aminomethyl)-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)c2ccccn2)ccc1CN
InChIInChI=1S/C14H17N3O2S/c1-11-9-13(7-6-12(11)10-15)20(18,19)17(2)14-5-3-4-8-16-14/h3-9H,10,15H2,1-2H3
InChIKeyXDOCFGXGOVNNTL-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.67
Rot. Bonds4

About 4-(aminomethyl)-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide

4-(aminomethyl)-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 106919095) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-(aminomethyl)-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide
PubChem CID106919095
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-(aminomethyl)-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide
SMILESCc1cc(S(=O)(=O)N(C)c2ccccn2)ccc1CN
InChIInChI=1S/C14H17N3O2S/c1-11-9-13(7-6-12(11)10-15)20(18,19)17(2)14-5-3-4-8-16-14/h3-9H,10,15H2,1-2H3
InChIKeyXDOCFGXGOVNNTL-UHFFFAOYSA-N
XLogP1.67
TPSA76.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-(aminomethyl)-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide 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

4-methoxy-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide
CID 56816994
3-amino-4-bromo-N-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 115328693
4-(aminomethyl)-N-(4-fluorophenyl)-N,3-dimethylbenzenesulfonamide
CID 106919334
4-(aminomethyl)-N-ethyl-N,3-dimethylbenzenesulfonamide
CID 106919113
4-tert-butyl-N-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 4684252
4-(aminomethyl)-N,3-dimethyl-N-(pyridin-4-ylmethyl)benzenesulfonamide
CID 106919156
4-methoxy-N-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 47137196
4-(aminomethyl)-N-(1H-imidazol-2-ylmethyl)-N,3-dimethylbenzenesulfonamide
CID 106919444
4-(aminomethyl)-N,3-dimethyl-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106919163
2-amino-N-methyl-N-pyridin-2-ylpyridine-3-sulfonamide
CID 62149256
6-amino-5-chloro-N-methyl-N-pyridin-2-ylpyridine-3-sulfonamide
CID 64606792
2-[methyl(sulfamoyl)amino]pyridine
CID 112686069

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide (CID 106919095) is 4-(aminomethyl)-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide is Cc1cc(S(=O)(=O)N(C)c2ccccn2)ccc1CN.
What is the InChIKey of 4-(aminomethyl)-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is XDOCFGXGOVNNTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-11-9-13(7-6-12(11)10-15)20(18,19)17(2)14-5-3-4-8-16-14/h3-9H,10,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide?
4-(aminomethyl)-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.67, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N,3-dimethyl-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 106919095), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).