5-(aminomethyl)-2,4-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide

C15H19N3O2S — CID 106071279

IUPAC5-(aminomethyl)-2,4-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(CN)c(C)cc2C)ccn1
InChIInChI=1S/C15H19N3O2S/c1-10-6-11(2)15(8-13(10)9-16)21(19,20)18-14-4-5-17-12(3)7-14/h4-8H,9,16H2,1-3H3,(H,17,18)
InChIKeySCCXBQPYAQXXSB-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.27
Rot. Bonds4

About 5-(aminomethyl)-2,4-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide

5-(aminomethyl)-2,4-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide (PubChem CID 106071279) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 5-(aminomethyl)-2,4-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2,4-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
PubChem CID106071279
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name5-(aminomethyl)-2,4-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
SMILESCc1cc(NS(=O)(=O)c2cc(CN)c(C)cc2C)ccn1
InChIInChI=1S/C15H19N3O2S/c1-10-6-11(2)15(8-13(10)9-16)21(19,20)18-14-4-5-17-12(3)7-14/h4-8H,9,16H2,1-3H3,(H,17,18)
InChIKeySCCXBQPYAQXXSB-UHFFFAOYSA-N
XLogP2.27
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2,4-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071273
3-(aminomethyl)-5-bromo-2-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071278
4-ethoxy-2,5-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 110756905
3-(aminomethyl)-4-ethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071272
2-methyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 78955887
5-(aminomethyl)-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide
CID 79240386
2-(aminomethyl)-4-methyl-N-(2-methyl-4-pyridinyl)thiophene-3-sulfonamide
CID 106071250
2-hydrazinyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240880
2-(methylamino)-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240316
4-methoxy-2,3,5-trimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 110758398
N-(2-methyl-4-pyridinyl)-2-(propylamino)benzenesulfonamide
CID 79233091
3-amino-N-(2-methyl-4-pyridinyl)-1-propylpyrazole-4-sulfonamide
CID 79234839

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2,4-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 5-(aminomethyl)-2,4-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide (CID 106071279) is 5-(aminomethyl)-2,4-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2,4-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 5-(aminomethyl)-2,4-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide is Cc1cc(NS(=O)(=O)c2cc(CN)c(C)cc2C)ccn1.
What is the InChIKey of 5-(aminomethyl)-2,4-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The InChIKey is SCCXBQPYAQXXSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-10-6-11(2)15(8-13(10)9-16)21(19,20)18-14-4-5-17-12(3)7-14/h4-8H,9,16H2,1-3H3,(H,17,18).
What are the key properties of 5-(aminomethyl)-2,4-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
5-(aminomethyl)-2,4-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.27, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2,4-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 106071279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).