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

C15H19N3O2S — CID 106063140

IUPAC3-(aminomethyl)-4-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cnccc2C)cc1CN
InChIInChI=1S/C15H19N3O2S/c1-3-12-4-5-14(8-13(12)9-16)21(19,20)18-15-10-17-7-6-11(15)2/h4-8,10,18H,3,9,16H2,1-2H3
InChIKeyBFEITRIIXCZEGI-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.21
Rot. Bonds5

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

3-(aminomethyl)-4-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide (PubChem CID 106063140) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-(aminomethyl)-4-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(aminomethyl)-4-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
PubChem CID106063140
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-(aminomethyl)-4-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2cnccc2C)cc1CN
InChIInChI=1S/C15H19N3O2S/c1-3-12-4-5-14(8-13(12)9-16)21(19,20)18-15-10-17-7-6-11(15)2/h4-8,10,18H,3,9,16H2,1-2H3
InChIKeyBFEITRIIXCZEGI-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

4-(aminomethyl)-3-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106919393
3-(aminomethyl)-N-(3-bromo-4-pyridinyl)-4-ethylbenzenesulfonamide
CID 106075981
5-(aminomethyl)-2-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 106063130
4-(2-aminoethyl)-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63327769
5-(aminomethyl)-N-(4-methyl-3-pyridinyl)-1H-pyrrole-3-sulfonamide
CID 114141286
3-amino-4-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201502
4-amino-3-chloro-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 115330084
3-amino-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 55201115
3-(aminomethyl)-4-ethyl-N-(2-methyl-4-pyridinyl)benzenesulfonamide
CID 106071272
N-(4-methyl-3-pyridinyl)-4-(propylamino)benzenesulfonamide
CID 63328119
3-amino-5-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 63329939
N-(4-methyl-3-pyridinyl)-2,3-dihydro-1H-isoindole-5-sulfonamide
CID 107422143

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The IUPAC name of 3-(aminomethyl)-4-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide (CID 106063140) is 3-(aminomethyl)-4-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide.
What is the SMILES notation for 3-(aminomethyl)-4-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The canonical SMILES for 3-(aminomethyl)-4-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2cnccc2C)cc1CN.
What is the InChIKey of 3-(aminomethyl)-4-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
The InChIKey is BFEITRIIXCZEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-12-4-5-14(8-13(12)9-16)21(19,20)18-15-10-17-7-6-11(15)2/h4-8,10,18H,3,9,16H2,1-2H3.
What are the key properties of 3-(aminomethyl)-4-ethyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide?
3-(aminomethyl)-4-ethyl-N-(4-methyl-3-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-(4-methyl-3-pyridinyl)benzenesulfonamide is sourced from PubChem (CID 106063140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).