4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride

C14H18ClN3O2S — CID 17292493

IUPAC4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(CCNCc2ccncc2)cc1
InChIInChI=1S/C14H17N3O2S.ClH/c15-20(18,19)14-3-1-12(2-4-14)5-10-17-11-13-6-8-16-9-7-13;/h1-4,6-9,17H,5,10-11H2,(H2,15,18,19);1H
InChIKeyFZUARUMOGCWALA-UHFFFAOYSA-N
MW327.84 g/mol
LogP1.48
Rot. Bonds6

About 4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride

4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride (PubChem CID 17292493) has the molecular formula C14H18ClN3O2S and a molecular weight of 327.84 g/mol. Its IUPAC name is 4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride
PubChem CID17292493
Molecular FormulaC14H18ClN3O2S
Molecular Weight327.84 g/mol
Exact Mass327.08
IUPAC Name4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccc(CCNCc2ccncc2)cc1
InChIInChI=1S/C14H17N3O2S.ClH/c15-20(18,19)14-3-1-12(2-4-14)5-10-17-11-13-6-8-16-9-7-13;/h1-4,6-9,17H,5,10-11H2,(H2,15,18,19);1H
InChIKeyFZUARUMOGCWALA-UHFFFAOYSA-N
XLogP1.48
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.84
LogP ≤ 51.48
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-[2-(pyridin-3-ylmethylamino)ethyl]benzenesulfonamide
CID 4718104
4-[2-[(4-nitrophenyl)methylamino]ethyl]benzenesulfonamide
CID 4718991
4-[2-[[6-(pyridin-4-ylmethylamino)pyrimidin-4-yl]amino]ethyl]benzenesulfonamide
CID 112860886
N-[(4-ethylphenyl)methyl]-2-pyridin-4-ylethanamine
CID 54943545
4-[(pyridin-4-ylamino)methyl]benzenesulfonamide
CID 29036567
4-[2-[[4-[(4-chlorophenyl)methoxy]phenyl]methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17292545
2-[4-[(2-pyridin-4-ylethylamino)methyl]phenyl]acetic acid
CID 103239967
4-[2-[(3-nitrophenyl)methylamino]ethyl]benzenesulfonamide;hydrochloride
CID 17294132
N-methyl-4-[(2-pyridin-4-ylethylamino)methyl]aniline
CID 115212846
4-[2-[(2-methylphenyl)methylamino]ethyl]benzenesulfonamide
CID 4719674
4-amino-3-(2-pyridin-4-ylethylamino)benzenesulfonamide
CID 82907842
1-methyl-1-(2-pyridin-4-ylethyl)-3-[2-(4-sulfamoylphenyl)ethyl]urea
CID 108989235

Frequently Asked Questions

What is the IUPAC name of 4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride?
The IUPAC name of 4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride (CID 17292493) is 4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride.
What is the SMILES notation for 4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride?
The canonical SMILES for 4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride is Cl.NS(=O)(=O)c1ccc(CCNCc2ccncc2)cc1.
What is the InChIKey of 4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride?
The InChIKey is FZUARUMOGCWALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O2S.ClH/c15-20(18,19)14-3-1-12(2-4-14)5-10-17-11-13-6-8-16-9-7-13;/h1-4,6-9,17H,5,10-11H2,(H2,15,18,19);1H.
What are the key properties of 4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride?
4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride has a molecular weight of 327.84 g/mol, XLogP of 1.48, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(pyridin-4-ylmethylamino)ethyl]benzenesulfonamide;hydrochloride is sourced from PubChem (CID 17292493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).