2-(2-pyridin-4-ylethyl)benzenesulfonamide

C13H14N2O2S — CID 142811447

IUPAC2-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1CCc1ccncc1
InChIInChI=1S/C13H14N2O2S/c14-18(16,17)13-4-2-1-3-12(13)6-5-11-7-9-15-10-8-11/h1-4,7-10H,5-6H2,(H2,14,16,17)
InChIKeyDHFWQKHELAFXKW-UHFFFAOYSA-N
MW262.33 g/mol
LogP1.51
Rot. Bonds4

About 2-(2-pyridin-4-ylethyl)benzenesulfonamide

2-(2-pyridin-4-ylethyl)benzenesulfonamide (PubChem CID 142811447) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is 2-(2-pyridin-4-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name2-(2-pyridin-4-ylethyl)benzenesulfonamide
PubChem CID142811447
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC Name2-(2-pyridin-4-ylethyl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1CCc1ccncc1
InChIInChI=1S/C13H14N2O2S/c14-18(16,17)13-4-2-1-3-12(13)6-5-11-7-9-15-10-8-11/h1-4,7-10H,5-6H2,(H2,14,16,17)
InChIKeyDHFWQKHELAFXKW-UHFFFAOYSA-N
XLogP1.51
TPSA73.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-pyridin-3-ylethyl)benzenesulfonamide;hydrochloride
CID 66960528
4-[2-[2,4,5-tris(2-pyridin-4-ylethyl)phenyl]ethyl]pyridine
CID 58825419
3-(pyridin-4-ylmethyl)-2-(trifluoromethyl)benzenesulfonamide
CID 69122814
4-[2-(2-methylphenyl)ethyl]pyridine
CID 54132329
2-[2-(dimethylamino)ethyl]benzenesulfonamide
CID 69371931
2-benzylbenzenesulfonamide;methane
CID 175312349
2-nonylbenzenesulfonamide
CID 70447042
3-(2-sulfamoylphenyl)propane-1-sulfonic acid
CID 173385405
2-pent-4-enylbenzenesulfonamide
CID 153312111
4-(2-pyridin-4-ylethyl)pyridine;hydrochloride
CID 18530302
4-(2-pyridin-4-ylethyl)pyridine;dihydrochloride
CID 131859960
2-aminobenzenesulfonamide;pyridine
CID 159520045

Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-4-ylethyl)benzenesulfonamide?
The IUPAC name of 2-(2-pyridin-4-ylethyl)benzenesulfonamide (CID 142811447) is 2-(2-pyridin-4-ylethyl)benzenesulfonamide.
What is the SMILES notation for 2-(2-pyridin-4-ylethyl)benzenesulfonamide?
The canonical SMILES for 2-(2-pyridin-4-ylethyl)benzenesulfonamide is NS(=O)(=O)c1ccccc1CCc1ccncc1.
What is the InChIKey of 2-(2-pyridin-4-ylethyl)benzenesulfonamide?
The InChIKey is DHFWQKHELAFXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c14-18(16,17)13-4-2-1-3-12(13)6-5-11-7-9-15-10-8-11/h1-4,7-10H,5-6H2,(H2,14,16,17).
What are the key properties of 2-(2-pyridin-4-ylethyl)benzenesulfonamide?
2-(2-pyridin-4-ylethyl)benzenesulfonamide has a molecular weight of 262.33 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-4-ylethyl)benzenesulfonamide is sourced from PubChem (CID 142811447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).