N-[4-(methylaminomethyl)phenyl]-2-pyridin-4-ylethanesulfonamide

C15H19N3O2S — CID 106911099

IUPACN-[4-(methylaminomethyl)phenyl]-2-pyridin-4-ylethanesulfonamide
SMILESCNCc1ccc(NS(=O)(=O)CCc2ccncc2)cc1
InChIInChI=1S/C15H19N3O2S/c1-16-12-14-2-4-15(5-3-14)18-21(19,20)11-8-13-6-9-17-10-7-13/h2-7,9-10,16,18H,8,11-12H2,1H3
InChIKeyFWDFCDHJESMDEV-UHFFFAOYSA-N
MW305.40 g/mol
LogP1.79
Rot. Bonds7

About N-[4-(methylaminomethyl)phenyl]-2-pyridin-4-ylethanesulfonamide

N-[4-(methylaminomethyl)phenyl]-2-pyridin-4-ylethanesulfonamide (PubChem CID 106911099) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-[4-(methylaminomethyl)phenyl]-2-pyridin-4-ylethanesulfonamide.

Molecular Properties

Compound NameN-[4-(methylaminomethyl)phenyl]-2-pyridin-4-ylethanesulfonamide
PubChem CID106911099
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-[4-(methylaminomethyl)phenyl]-2-pyridin-4-ylethanesulfonamide
SMILESCNCc1ccc(NS(=O)(=O)CCc2ccncc2)cc1
InChIInChI=1S/C15H19N3O2S/c1-16-12-14-2-4-15(5-3-14)18-21(19,20)11-8-13-6-9-17-10-7-13/h2-7,9-10,16,18H,8,11-12H2,1H3
InChIKeyFWDFCDHJESMDEV-UHFFFAOYSA-N
XLogP1.79
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 ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(1-hydroxyethyl)phenyl]-2-pyridin-4-ylethanesulfonamide
CID 60891900
N-[4-(pyridin-4-ylmethylamino)phenyl]propane-1-sulfonamide
CID 112983175
N-(3-bromo-5-methylphenyl)-2-pyridin-4-ylethanesulfonamide
CID 107583973
N-[4-(methylaminomethyl)phenyl]methanesulfonamide
CID 23545958
N-[[4-(bromomethyl)phenyl]methyl]-2-pyridin-4-ylethanesulfonamide
CID 107233960
2-iodopropane;N-methyl-1-pyridin-4-ylmethanamine
CID 91308032
N-[4-(pyridin-4-ylmethyl)phenyl]methanesulfonamide
CID 56920768
N-methoxy-2-pyridin-4-ylethanesulfonamide
CID 64973891
N-[4-(pyridin-4-ylmethylamino)phenyl]methanesulfonamide
CID 43725280
N-[6-(pyridin-4-ylmethylamino)-3-pyridinyl]propane-1-sulfonamide
CID 113012956
4-(2-ethylsulfonylethyl)pyridine
CID 59155282
N-[4-[(4-fluorophenyl)methylamino]phenyl]-2-phenylethanesulfonamide
CID 112982516

Frequently Asked Questions

What is the IUPAC name of N-[4-(methylaminomethyl)phenyl]-2-pyridin-4-ylethanesulfonamide?
The IUPAC name of N-[4-(methylaminomethyl)phenyl]-2-pyridin-4-ylethanesulfonamide (CID 106911099) is N-[4-(methylaminomethyl)phenyl]-2-pyridin-4-ylethanesulfonamide.
What is the SMILES notation for N-[4-(methylaminomethyl)phenyl]-2-pyridin-4-ylethanesulfonamide?
The canonical SMILES for N-[4-(methylaminomethyl)phenyl]-2-pyridin-4-ylethanesulfonamide is CNCc1ccc(NS(=O)(=O)CCc2ccncc2)cc1.
What is the InChIKey of N-[4-(methylaminomethyl)phenyl]-2-pyridin-4-ylethanesulfonamide?
The InChIKey is FWDFCDHJESMDEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-16-12-14-2-4-15(5-3-14)18-21(19,20)11-8-13-6-9-17-10-7-13/h2-7,9-10,16,18H,8,11-12H2,1H3.
What are the key properties of N-[4-(methylaminomethyl)phenyl]-2-pyridin-4-ylethanesulfonamide?
N-[4-(methylaminomethyl)phenyl]-2-pyridin-4-ylethanesulfonamide has a molecular weight of 305.40 g/mol, XLogP of 1.79, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methylaminomethyl)phenyl]-2-pyridin-4-ylethanesulfonamide is sourced from PubChem (CID 106911099), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).