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

C14H17N3O2S — CID 106065501

IUPAC3-(aminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cnccc1NS(=O)(=O)c1cccc(CN)c1C
InChIInChI=1S/C14H17N3O2S/c1-10-9-16-7-6-13(10)17-20(18,19)14-5-3-4-12(8-15)11(14)2/h3-7,9H,8,15H2,1-2H3,(H,16,17)
InChIKeyJIYCFHMBGROOQP-UHFFFAOYSA-N
MW291.38 g/mol
LogP1.96
Rot. Bonds4

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

3-(aminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide (PubChem CID 106065501) has the molecular formula C14H17N3O2S and a molecular weight of 291.38 g/mol. Its IUPAC name is 3-(aminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
PubChem CID106065501
Molecular FormulaC14H17N3O2S
Molecular Weight291.38 g/mol
Exact Mass291.10
IUPAC Name3-(aminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cnccc1NS(=O)(=O)c1cccc(CN)c1C
InChIInChI=1S/C14H17N3O2S/c1-10-9-16-7-6-13(10)17-20(18,19)14-5-3-4-12(8-15)11(14)2/h3-7,9H,8,15H2,1-2H3,(H,16,17)
InChIKeyJIYCFHMBGROOQP-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-methyl-3-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 106065542
2-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide
CID 106594533
2-methyl-3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063193
3-(aminomethyl)-5-chloro-2-fluoro-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 106065535
2-amino-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide
CID 63672409
3-(aminomethyl)-N-(2-bromophenyl)-2-methylbenzenesulfonamide
CID 106061237
3-(aminomethyl)-N-(2,5-dibromophenyl)-2-methylbenzenesulfonamide
CID 106007221
3-(aminomethyl)-2-methyl-N-(1-pyridin-3-ylethyl)benzenesulfonamide
CID 106021295
3-(aminomethyl)-N-(3-bromophenyl)-2-methylbenzenesulfonamide
CID 106061577
3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79889835
3-(aminomethyl)-2-methyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 106082813
5-amino-3-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79896756

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide (CID 106065501) is 3-(aminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide is Cc1cnccc1NS(=O)(=O)c1cccc(CN)c1C.
What is the InChIKey of 3-(aminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The InChIKey is JIYCFHMBGROOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S/c1-10-9-16-7-6-13(10)17-20(18,19)14-5-3-4-12(8-15)11(14)2/h3-7,9H,8,15H2,1-2H3,(H,16,17).
What are the key properties of 3-(aminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
3-(aminomethyl)-2-methyl-N-(3-methyl-4-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 3-(aminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 106065501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).