3-(propylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide

C15H19N3O2S — CID 106082573

IUPAC3-(propylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
SMILESCCCNCc1cccc(S(=O)(=O)Nc2ccccn2)c1
InChIInChI=1S/C15H19N3O2S/c1-2-9-16-12-13-6-5-7-14(11-13)21(19,20)18-15-8-3-4-10-17-15/h3-8,10-11,16H,2,9,12H2,1H3,(H,17,18)
InChIKeyAJDGMDXJXUZSKC-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.38
Rot. Bonds7

About 3-(propylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide

3-(propylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide (PubChem CID 106082573) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 3-(propylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name3-(propylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
PubChem CID106082573
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name3-(propylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
SMILESCCCNCc1cccc(S(=O)(=O)Nc2ccccn2)c1
InChIInChI=1S/C15H19N3O2S/c1-2-9-16-12-13-6-5-7-14(11-13)21(19,20)18-15-8-3-4-10-17-15/h3-8,10-11,16H,2,9,12H2,1H3,(H,17,18)
InChIKeyAJDGMDXJXUZSKC-UHFFFAOYSA-N
XLogP2.38
TPSA71.09 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-(propylaminomethyl)-N-(1,2,4-triazin-3-yl)benzenesulfonamide
CID 106082065
5-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrrole-3-sulfonamide
CID 106082564
3-(propylaminomethyl)-N-thiophen-3-ylbenzenesulfonamide
CID 106070111
N-pentan-3-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106032210
4-propyl-N-pyridin-2-ylbenzenesulfonamide
CID 3269642
N-piperidin-1-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106075384
N-pentan-2-yl-3-(propylaminomethyl)benzenesulfonamide
CID 106046653
5-methyl-4-(propylaminomethyl)-N-pyridin-2-yl-1H-pyrazole-3-sulfonamide
CID 106082529
4-ethyl-3-(methylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide
CID 106082502
1-N-(3-methoxypropyl)-3-N-pyridin-2-ylbenzene-1,3-disulfonamide
CID 75510839
3-N-(3-methylbutan-2-yl)-1-N-pyridin-2-ylbenzene-1,3-disulfonamide
CID 86817072
3,5-difluoro-N-pyridin-2-ylbenzenesulfonamide
CID 142789105

Frequently Asked Questions

What is the IUPAC name of 3-(propylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide?
The IUPAC name of 3-(propylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide (CID 106082573) is 3-(propylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide.
What is the SMILES notation for 3-(propylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide?
The canonical SMILES for 3-(propylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide is CCCNCc1cccc(S(=O)(=O)Nc2ccccn2)c1.
What is the InChIKey of 3-(propylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide?
The InChIKey is AJDGMDXJXUZSKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-9-16-12-13-6-5-7-14(11-13)21(19,20)18-15-8-3-4-10-17-15/h3-8,10-11,16H,2,9,12H2,1H3,(H,17,18).
What are the key properties of 3-(propylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide?
3-(propylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(propylaminomethyl)-N-pyridin-2-ylbenzenesulfonamide is sourced from PubChem (CID 106082573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).