4-(aminomethyl)-2-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide

C14H17N3O2S — CID 106997067

IUPAC4-(aminomethyl)-2-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CN)cc2C)cn1
InChIInChI=1S/C14H17N3O2S/c1-10-7-12(8-15)4-6-14(10)20(18,19)17-13-5-3-11(2)16-9-13/h3-7,9,17H,8,15H2,1-2H3
InChIKeyZZSHGVUWLKAOAQ-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.96
Rot. Bonds4

About 4-(aminomethyl)-2-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide

4-(aminomethyl)-2-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 106997067) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 4-(aminomethyl)-2-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name4-(aminomethyl)-2-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID106997067
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name4-(aminomethyl)-2-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide
SMILESCc1ccc(NS(=O)(=O)c2ccc(CN)cc2C)cn1
InChIInChI=1S/C14H17N3O2S/c1-10-7-12(8-15)4-6-14(10)20(18,19)17-13-5-3-11(2)16-9-13/h3-7,9,17H,8,15H2,1-2H3
InChIKeyZZSHGVUWLKAOAQ-UHFFFAOYSA-N
XLogP1.96
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.38
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(6-methyl-3-pyridinyl)pyridine-3-sulfonamide
CID 106594765
4-(aminomethyl)-2-methyl-N-pyridin-2-ylbenzenesulfonamide
CID 106996553
3-(aminomethyl)-5-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 106073213
2,4-dibromo-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 81495216
4-(aminomethyl)-N-(2-fluorophenyl)-2-methylbenzenesulfonamide
CID 106996572
4-bromo-2-fluoro-N-(6-methyl-3-pyridinyl)benzenesulfonamide
CID 116528754
4-(aminomethyl)-N-(2-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 106996652
4-(aminomethyl)-2-methyl-N-(2-methylbutan-2-yl)benzenesulfonamide
CID 106996543
4-(aminomethyl)-2-fluoro-N-(4-fluorophenyl)benzenesulfonamide
CID 106061759
4-(aminomethyl)-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 106997096
3-(aminomethyl)-5-methyl-N-(6-methyl-3-pyridinyl)-1H-pyrazole-4-sulfonamide
CID 106073270
4-(aminomethyl)-2-methyl-N-[(6-methyl-2-pyridinyl)methyl]benzenesulfonamide
CID 106996904

Frequently Asked Questions

What is the IUPAC name of 4-(aminomethyl)-2-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 4-(aminomethyl)-2-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide (CID 106997067) is 4-(aminomethyl)-2-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 4-(aminomethyl)-2-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 4-(aminomethyl)-2-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide is Cc1ccc(NS(=O)(=O)c2ccc(CN)cc2C)cn1.
What is the InChIKey of 4-(aminomethyl)-2-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is ZZSHGVUWLKAOAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-7-12(8-15)4-6-14(10)20(18,19)17-13-5-3-11(2)16-9-13/h3-7,9,17H,8,15H2,1-2H3.
What are the key properties of 4-(aminomethyl)-2-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide?
4-(aminomethyl)-2-methyl-N-(6-methyl-3-pyridinyl)benzenesulfonamide has a molecular weight of 291.38 g/mol, XLogP of 1.96, 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-(6-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 106997067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).