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

C15H19N3O2S — CID 106065542

IUPAC2-methyl-3-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)Nc2ccncc2C)c1C
InChIInChI=1S/C15H19N3O2S/c1-11-9-17-8-7-14(11)18-21(19,20)15-6-4-5-13(10-16-3)12(15)2/h4-9,16H,10H2,1-3H3,(H,17,18)
InChIKeyFZTRFVBAAKDONI-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.22
Rot. Bonds5

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

2-methyl-3-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)benzenesulfonamide (PubChem CID 106065542) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 2-methyl-3-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name2-methyl-3-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)benzenesulfonamide
PubChem CID106065542
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name2-methyl-3-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)benzenesulfonamide
SMILESCNCc1cccc(S(=O)(=O)Nc2ccncc2C)c1C
InChIInChI=1S/C15H19N3O2S/c1-11-9-17-8-7-14(11)18-21(19,20)15-6-4-5-13(10-16-3)12(15)2/h4-9,16H,10H2,1-3H3,(H,17,18)
InChIKeyFZTRFVBAAKDONI-UHFFFAOYSA-N
XLogP2.22
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylaminomethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063193
3-(aminomethyl)-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 106065501
2-methyl-3-(methylaminomethyl)-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 106031858
N-(4-fluorophenyl)-2-methyl-3-(methylaminomethyl)benzenesulfonamide
CID 106061777
2-amino-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide
CID 63672409
2-(aminomethyl)-N-(3-methyl-4-pyridinyl)pyridine-3-sulfonamide
CID 106594533
3-amino-2,5-dimethyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79889835
2,5-dimethyl-4-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)furan-3-sulfonamide
CID 106065515
3-amino-5-bromo-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 114379639
2-methyl-3-(methylaminomethyl)-N-(3-methylbutan-2-yl)benzenesulfonamide
CID 106030057
N-(2-methylphenyl)isoquinoline-8-sulfonamide
CID 167968996
N-(4-methyl-3-pyridinyl)naphthalene-1-sulfonamide
CID 115685376

Frequently Asked Questions

What is the IUPAC name of 2-methyl-3-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 2-methyl-3-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)benzenesulfonamide (CID 106065542) is 2-methyl-3-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 2-methyl-3-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 2-methyl-3-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)benzenesulfonamide is CNCc1cccc(S(=O)(=O)Nc2ccncc2C)c1C.
What is the InChIKey of 2-methyl-3-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
The InChIKey is FZTRFVBAAKDONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-11-9-17-8-7-14(11)18-21(19,20)15-6-4-5-13(10-16-3)12(15)2/h4-9,16H,10H2,1-3H3,(H,17,18).
What are the key properties of 2-methyl-3-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)benzenesulfonamide?
2-methyl-3-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.22, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-3-(methylaminomethyl)-N-(3-methyl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 106065542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).