4-(aminomethyl)-2-methyl-N-pyridin-2-ylbenzenesulfonamide

C13H15N3O2S — CID 106996553

IUPAC4-(aminomethyl)-2-methyl-N-pyridin-2-ylbenzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)Nc1ccccn1
InChIInChI=1S/C13H15N3O2S/c1-10-8-11(9-14)5-6-12(10)19(17,18)16-13-4-2-3-7-15-13/h2-8H,9,14H2,1H3,(H,15,16)
InChIKeyRUMXRHZFSQNANO-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.65
Rot. Bonds4

About 4-(aminomethyl)-2-methyl-N-pyridin-2-ylbenzenesulfonamide

4-(aminomethyl)-2-methyl-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 106996553) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methyl-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-methyl-N-pyridin-2-ylbenzenesulfonamide
PubChem CID106996553
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name4-(aminomethyl)-2-methyl-N-pyridin-2-ylbenzenesulfonamide
SMILESCc1cc(CN)ccc1S(=O)(=O)Nc1ccccn1
InChIInChI=1S/C13H15N3O2S/c1-10-8-11(9-14)5-6-12(10)19(17,18)16-13-4-2-3-7-15-13/h2-8H,9,14H2,1H3,(H,15,16)
InChIKeyRUMXRHZFSQNANO-UHFFFAOYSA-N
XLogP1.65
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-methyl-4-(pyridin-2-ylsulfamoyl)benzenecarbothioamide
CID 106997501
4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide
CID 106996572
4-(aminomethyl)-2-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 106997067
2,3,4,5-tetramethyl-N-pyridin-2-ylbenzenesulfonamide
CID 16644704
4-ethoxy-2-methyl-5-propan-2-yl-N-pyridin-2-ylbenzenesulfonamide
CID 2986731
2-bromo-4-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 60824838
4-bromo-5-methoxy-2-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 16644702
2,5-dimethyl-4-propoxy-N-pyridin-2-ylbenzenesulfonamide
CID 2991807
2-methoxy-4-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082623
2,4-dimethyl-5-propoxy-N-pyridin-2-ylbenzenesulfonamide
CID 15943748
2,3,5,6-tetramethyl-N-pyridin-2-ylbenzenesulfonamide
CID 2147472
1-N-(2-methylpropyl)-2-N-pyridin-2-ylbenzene-1,2-disulfonamide
CID 122150658

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methyl-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-methyl-N-pyridin-2-ylbenzenesulfonamide (CID 106996553) is 4-(aminomethyl)-2-methyl-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-methyl-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-methyl-N-pyridin-2-ylbenzenesulfonamide is Cc1cc(CN)ccc1S(=O)(=O)Nc1ccccn1.
What is the InChIKey of 4-(aminomethyl)-2-methyl-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is RUMXRHZFSQNANO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-10-8-11(9-14)5-6-12(10)19(17,18)16-13-4-2-3-7-15-13/h2-8H,9,14H2,1H3,(H,15,16).
What are the key properties of 4-(aminomethyl)-2-methyl-N-pyridin-2-ylbenzenesulfonamide?
4-(aminomethyl)-2-methyl-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 277.35 g/mol, XLogP of 1.65, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-2-methyl-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 106996553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).