N-(1-pyridin-3-ylethyl)benzenesulfonamide

C13H14N2O2S — CID 47007918

IUPACN-(1-pyridin-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1)c1cccnc1
InChIInChI=1S/C13H14N2O2S/c1-11(12-6-5-9-14-10-12)15-18(16,17)13-7-3-2-4-8-13/h2-11,15H,1H3
InChIKeyZBUVCHAUKDOTMD-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.12
Rot. Bonds4

About N-(1-pyridin-3-ylethyl)benzenesulfonamide

N-(1-pyridin-3-ylethyl)benzenesulfonamide (PubChem CID 47007918) has the molecular formula C13H14N2O2S and a molecular weight of 262.33 g/mol. Its IUPAC name is N-(1-pyridin-3-ylethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-pyridin-3-ylethyl)benzenesulfonamide
PubChem CID47007918
Molecular FormulaC13H14N2O2S
Molecular Weight262.33 g/mol
Exact Mass262.08
IUPAC NameN-(1-pyridin-3-ylethyl)benzenesulfonamide
SMILESCC(NS(=O)(=O)c1ccccc1)c1cccnc1
InChIInChI=1S/C13H14N2O2S/c1-11(12-6-5-9-14-10-12)15-18(16,17)13-7-3-2-4-8-13/h2-11,15H,1H3
InChIKeyZBUVCHAUKDOTMD-UHFFFAOYSA-N
XLogP2.12
TPSA59.06 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 ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The IUPAC name of N-(1-pyridin-3-ylethyl)benzenesulfonamide (CID 47007918) is N-(1-pyridin-3-ylethyl)benzenesulfonamide.
What is the SMILES notation for N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The canonical SMILES for N-(1-pyridin-3-ylethyl)benzenesulfonamide is CC(NS(=O)(=O)c1ccccc1)c1cccnc1.
What is the InChIKey of N-(1-pyridin-3-ylethyl)benzenesulfonamide?
The InChIKey is ZBUVCHAUKDOTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O2S/c1-11(12-6-5-9-14-10-12)15-18(16,17)13-7-3-2-4-8-13/h2-11,15H,1H3.
What are the key properties of N-(1-pyridin-3-ylethyl)benzenesulfonamide?
N-(1-pyridin-3-ylethyl)benzenesulfonamide has a molecular weight of 262.33 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-pyridin-3-ylethyl)benzenesulfonamide is sourced from PubChem (CID 47007918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).