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

C15H19N3O2S — CID 106071272

IUPAC3-(aminomethyl)-4-ethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccnc(C)c2)cc1CN
InChIInChI=1S/C15H19N3O2S/c1-3-12-4-5-15(9-13(12)10-16)21(19,20)18-14-6-7-17-11(2)8-14/h4-9H,3,10,16H2,1-2H3,(H,17,18)
InChIKeyHPCASWDWGJQQNN-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.21
Rot. Bonds5

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

3-(aminomethyl)-4-ethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide (PubChem CID 106071272) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-(aminomethyl)-4-ethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-ethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
PubChem CID106071272
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-(aminomethyl)-4-ethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2ccnc(C)c2)cc1CN
InChIInChI=1S/C15H19N3O2S/c1-3-12-4-5-15(9-13(12)10-16)21(19,20)18-14-6-7-17-11(2)8-14/h4-9H,3,10,16H2,1-2H3,(H,17,18)
InChIKeyHPCASWDWGJQQNN-UHFFFAOYSA-N
XLogP2.21
TPSA85.08 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 ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(aminomethyl)-2,4-dimethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071279
N-(2-methyl-4-pyridinyl)-4-propylbenzenesulfonamide
CID 110757506
5-(aminomethyl)-2,4-dichloro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071273
3-(aminomethyl)-4-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063140
4-(1-hydroxyethyl)-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 79240556
3-(aminomethyl)-5-bromo-2-fluoro-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071278
2-hydrazinyl-N-(2-methyl-4-pyridinyl)pyrimidine-5-sulfonamide
CID 79241040
5-(aminomethyl)-N-(2-methyl-4-pyridinyl)thiophene-2-sulfonamide
CID 79240386
3-(aminomethyl)-N-(3-bromo-4-pyridinyl)-4-ethylbenzenesulfonamide
CID 106075981
3-(aminomethyl)-N-(4-ethylphenyl)-4-methylbenzenesulfonamide
CID 107236787
6-(methylamino)-N-(2-methyl-4-pyridinyl)pyridine-3-sulfonamide
CID 79240478
N-(2-methyl-4-pyridinyl)-3-nitrobenzenesulfonamide
CID 110756916

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-ethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-ethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide (CID 106071272) is 3-(aminomethyl)-4-ethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-ethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-ethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2ccnc(C)c2)cc1CN.
What is the InChIKey of 3-(aminomethyl)-4-ethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
The InChIKey is HPCASWDWGJQQNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-12-4-5-15(9-13(12)10-16)21(19,20)18-14-6-7-17-11(2)8-14/h4-9H,3,10,16H2,1-2H3,(H,17,18).
What are the key properties of 3-(aminomethyl)-4-ethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide?
3-(aminomethyl)-4-ethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.21, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-ethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 106071272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).