2-(2-pyridin-3-ylethyl)benzenesulfonamide;hydrochloride

C13H15ClN2O2S — CID 66960528

IUPAC2-(2-pyridin-3-ylethyl)benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccccc1CCc1cccnc1
InChIInChI=1S/C13H14N2O2S.ClH/c14-18(16,17)13-6-2-1-5-12(13)8-7-11-4-3-9-15-10-11;/h1-6,9-10H,7-8H2,(H2,14,16,17);1H
InChIKeyURGRIILTEKSOMH-UHFFFAOYSA-N
MW298.80 g/mol
LogP1.94
Rot. Bonds4

About 2-(2-pyridin-3-ylethyl)benzenesulfonamide;hydrochloride

2-(2-pyridin-3-ylethyl)benzenesulfonamide;hydrochloride (PubChem CID 66960528) has the molecular formula C13H15ClN2O2S and a molecular weight of 298.80 g/mol. Its IUPAC name is 2-(2-pyridin-3-ylethyl)benzenesulfonamide;hydrochloride.

Molecular Properties

Compound Name2-(2-pyridin-3-ylethyl)benzenesulfonamide;hydrochloride
PubChem CID66960528
Molecular FormulaC13H15ClN2O2S
Molecular Weight298.80 g/mol
Exact Mass298.05
IUPAC Name2-(2-pyridin-3-ylethyl)benzenesulfonamide;hydrochloride
SMILESCl.NS(=O)(=O)c1ccccc1CCc1cccnc1
InChIInChI=1S/C13H14N2O2S.ClH/c14-18(16,17)13-6-2-1-5-12(13)8-7-11-4-3-9-15-10-11;/h1-6,9-10H,7-8H2,(H2,14,16,17);1H
InChIKeyURGRIILTEKSOMH-UHFFFAOYSA-N
XLogP1.94
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.80
LogP ≤ 51.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-pyridin-3-ylethyl)aniline;dihydrochloride
CID 45075131
3-(2-phenylethyl)pyridine;hydrochloride
CID 71669595
3-[2-(sulfamoylamino)ethyl]pyridine
CID 112684347
2-hydroxy-N-(2-pyridin-3-ylethyl)benzenesulfonamide
CID 81241998
[2-(2-pyridin-3-ylethyl)phenyl] hypoiodite
CID 139514897
O-(2-pyridin-3-ylethyl)hydroxylamine;dihydrochloride
CID 45158549
2,3-dichloro-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
CID 82913767
2,3-dimethyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
CID 82913485
2-methyl-4-(2-pyridin-3-ylethoxy)benzenesulfonamide
CID 82914505
3-(2-pyridin-3-ylethyl)-1H-indole
CID 19005702
2-ethyl-N-(2-pyridin-3-ylethyl)aniline
CID 55169393
pyridine-3-sulfonamide;hydrochloride
CID 67156649

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-3-ylethyl)benzenesulfonamide;hydrochloride?
The IUPAC name of 2-(2-pyridin-3-ylethyl)benzenesulfonamide;hydrochloride (CID 66960528) is 2-(2-pyridin-3-ylethyl)benzenesulfonamide;hydrochloride.
What is the SMILES notation for 2-(2-pyridin-3-ylethyl)benzenesulfonamide;hydrochloride?
The canonical SMILES for 2-(2-pyridin-3-ylethyl)benzenesulfonamide;hydrochloride is Cl.NS(=O)(=O)c1ccccc1CCc1cccnc1.
What is the InChIKey of 2-(2-pyridin-3-ylethyl)benzenesulfonamide;hydrochloride?
The InChIKey is URGRIILTEKSOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S.ClH/c14-18(16,17)13-6-2-1-5-12(13)8-7-11-4-3-9-15-10-11;/h1-6,9-10H,7-8H2,(H2,14,16,17);1H.
What are the key properties of 2-(2-pyridin-3-ylethyl)benzenesulfonamide;hydrochloride?
2-(2-pyridin-3-ylethyl)benzenesulfonamide;hydrochloride has a molecular weight of 298.80 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-3-ylethyl)benzenesulfonamide;hydrochloride is sourced from PubChem (CID 66960528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).