N-[4-(pyridin-4-ylmethylamino)phenyl]propane-1-sulfonamide

C15H19N3O2S — CID 112983175

IUPACN-[4-(pyridin-4-ylmethylamino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(NCc2ccncc2)cc1
InChIInChI=1S/C15H19N3O2S/c1-2-11-21(19,20)18-15-5-3-14(4-6-15)17-12-13-7-9-16-10-8-13/h3-10,17-18H,2,11-12H2,1H3
InChIKeyIPZNFTLJVNZFSH-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.85
Rot. Bonds7

About N-[4-(pyridin-4-ylmethylamino)phenyl]propane-1-sulfonamide

N-[4-(pyridin-4-ylmethylamino)phenyl]propane-1-sulfonamide (PubChem CID 112983175) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[4-(pyridin-4-ylmethylamino)phenyl]propane-1-sulfonamide.

Molecular Properties

Compound NameN-[4-(pyridin-4-ylmethylamino)phenyl]propane-1-sulfonamide
PubChem CID112983175
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[4-(pyridin-4-ylmethylamino)phenyl]propane-1-sulfonamide
SMILESCCCS(=O)(=O)Nc1ccc(NCc2ccncc2)cc1
InChIInChI=1S/C15H19N3O2S/c1-2-11-21(19,20)18-15-5-3-14(4-6-15)17-12-13-7-9-16-10-8-13/h3-10,17-18H,2,11-12H2,1H3
InChIKeyIPZNFTLJVNZFSH-UHFFFAOYSA-N
XLogP2.85
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 ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propane-1-sulfonamide
CID 113012956
N-[4-[(4-methylphenyl)methylamino]phenyl]propane-1-sulfonamide
CID 112982187
N-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide
CID 43725280
N-[4-(methylaminomethyl)phenyl]-2-pyridin-4-ylethanesulfonamide
CID 106911099
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]ethanesulfonamide
CID 113012955
N-[4-[(4-fluorophenyl)methylamino]phenyl]ethanesulfonamide
CID 60932275
N-[4-(tert-butylamino)phenyl]propane-1-sulfonamide
CID 112984927
N-[5-[(4-fluorophenyl)methylamino]-2-pyridinyl]propane-1-sulfonamide
CID 113027137
N-[4-(aminomethyl)phenyl]propane-1-sulfonamide
CID 11002376
N-[4-(4-methyl-3-pyridinyl)phenyl]propane-1-sulfonamide
CID 66714284
propyl 4-(pyridin-4-ylmethylamino)benzoate
CID 43217486
N-[4-(1-hydroxyethyl)phenyl]-2-pyridin-4-ylethanesulfonamide
CID 60891900

Frequently Asked Questions

What is the IUPAC name of N-[4-(pyridin-4-ylmethylamino)phenyl]propane-1-sulfonamide?
The IUPAC name of N-[4-(pyridin-4-ylmethylamino)phenyl]propane-1-sulfonamide (CID 112983175) is N-[4-(pyridin-4-ylmethylamino)phenyl]propane-1-sulfonamide.
What is the SMILES notation for N-[4-(pyridin-4-ylmethylamino)phenyl]propane-1-sulfonamide?
The canonical SMILES for N-[4-(pyridin-4-ylmethylamino)phenyl]propane-1-sulfonamide is CCCS(=O)(=O)Nc1ccc(NCc2ccncc2)cc1.
What is the InChIKey of N-[4-(pyridin-4-ylmethylamino)phenyl]propane-1-sulfonamide?
The InChIKey is IPZNFTLJVNZFSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-2-11-21(19,20)18-15-5-3-14(4-6-15)17-12-13-7-9-16-10-8-13/h3-10,17-18H,2,11-12H2,1H3.
What are the key properties of N-[4-(pyridin-4-ylmethylamino)phenyl]propane-1-sulfonamide?
N-[4-(pyridin-4-ylmethylamino)phenyl]propane-1-sulfonamide has a molecular weight of 305.40 g/mol, XLogP of 2.85, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(pyridin-4-ylmethylamino)phenyl]propane-1-sulfonamide is sourced from PubChem (CID 112983175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).