4-(propylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide

C15H19N3O2S — CID 60821742

IUPAC4-(propylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)Nc2ccncc2)cc1
InChIInChI=1S/C15H19N3O2S/c1-2-9-17-12-13-3-5-15(6-4-13)21(19,20)18-14-7-10-16-11-8-14/h3-8,10-11,17H,2,9,12H2,1H3,(H,16,18)
InChIKeyUKKQXOZCWJHAJS-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.38
Rot. Bonds7

About 4-(propylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide

4-(propylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide (PubChem CID 60821742) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is 4-(propylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(propylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide
PubChem CID60821742
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name4-(propylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide
SMILESCCCNCc1ccc(S(=O)(=O)Nc2ccncc2)cc1
InChIInChI=1S/C15H19N3O2S/c1-2-9-17-12-13-3-5-15(6-4-13)21(19,20)18-14-7-10-16-11-8-14/h3-8,10-11,17H,2,9,12H2,1H3,(H,16,18)
InChIKeyUKKQXOZCWJHAJS-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

4-(propylaminomethyl)-N-(2,2,2-trifluoroethyl)benzenesulfonamide
CID 60821922
N-(2-methylcyclopropyl)-4-(propylaminomethyl)benzenesulfonamide
CID 55071483
N-[[4-[[methyl(pyridin-4-ylmethyl)amino]methyl]phenyl]methyl]propan-1-amine
CID 62431655
4-N-[(2S)-3-methylbutan-2-yl]-1-N-pyridin-4-ylbenzene-1,4-disulfonamide
CID 97309370
4-(propylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)benzenesulfonamide
CID 64531603
4-(ethylaminomethyl)-N-pyrazin-2-ylbenzenesulfonamide
CID 60823106
N-(4-ethylphenyl)-4-propylbenzenesulfonamide
CID 22773839
N-methyl-N-propan-2-yl-4-(propylaminomethyl)benzenesulfonamide
CID 54921908
N-[[4-(pyridin-4-ylmethoxy)phenyl]methyl]propan-1-amine
CID 23397058
N-(4-methoxybutan-2-yl)-4-(propylaminomethyl)benzenesulfonamide
CID 64603458
N-(4-iodophenyl)-4-(propylamino)benzenesulfonamide
CID 62142672
4-methyl-N-[4-[(4-methylphenyl)methylamino]phenyl]benzenesulfonamide
CID 112982191

Frequently Asked Questions

What is the IUPAC name of 4-(propylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide?
The IUPAC name of 4-(propylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide (CID 60821742) is 4-(propylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide.
What is the SMILES notation for 4-(propylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide?
The canonical SMILES for 4-(propylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide is CCCNCc1ccc(S(=O)(=O)Nc2ccncc2)cc1.
What is the InChIKey of 4-(propylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide?
The InChIKey is UKKQXOZCWJHAJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-9-17-12-13-3-5-15(6-4-13)21(19,20)18-14-7-10-16-11-8-14/h3-8,10-11,17H,2,9,12H2,1H3,(H,16,18).
What are the key properties of 4-(propylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide?
4-(propylaminomethyl)-N-pyridin-4-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 4-(propylaminomethyl)-N-pyridin-4-ylbenzenesulfonamide is sourced from PubChem (CID 60821742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).