N-(pyridin-4-ylmethyl)benzenesulfonamide

C12H12N2O2S — CID 818674

IUPACN-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccncc1)c1ccccc1
InChIInChI=1S/C12H12N2O2S/c15-17(16,12-4-2-1-3-5-12)14-10-11-6-8-13-9-7-11/h1-9,14H,10H2
InChIKeyMDHWZWLXNDRYAO-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.56
Rot. Bonds4

About N-(pyridin-4-ylmethyl)benzenesulfonamide

N-(pyridin-4-ylmethyl)benzenesulfonamide (PubChem CID 818674) has the molecular formula C12H12N2O2S and a molecular weight of 248.31 g/mol. Its IUPAC name is N-(pyridin-4-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(pyridin-4-ylmethyl)benzenesulfonamide
PubChem CID818674
Molecular FormulaC12H12N2O2S
Molecular Weight248.31 g/mol
Exact Mass248.06
IUPAC NameN-(pyridin-4-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(NCc1ccncc1)c1ccccc1
InChIInChI=1S/C12H12N2O2S/c15-17(16,12-4-2-1-3-5-12)14-10-11-6-8-13-9-7-11/h1-9,14H,10H2
InChIKeyMDHWZWLXNDRYAO-UHFFFAOYSA-N
XLogP1.56
TPSA59.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(pyridin-4-ylmethyl)benzenesulfonamide?
The IUPAC name of N-(pyridin-4-ylmethyl)benzenesulfonamide (CID 818674) is N-(pyridin-4-ylmethyl)benzenesulfonamide.
What is the SMILES notation for N-(pyridin-4-ylmethyl)benzenesulfonamide?
The canonical SMILES for N-(pyridin-4-ylmethyl)benzenesulfonamide is O=S(=O)(NCc1ccncc1)c1ccccc1.
What is the InChIKey of N-(pyridin-4-ylmethyl)benzenesulfonamide?
The InChIKey is MDHWZWLXNDRYAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N2O2S/c15-17(16,12-4-2-1-3-5-12)14-10-11-6-8-13-9-7-11/h1-9,14H,10H2.
What are the key properties of N-(pyridin-4-ylmethyl)benzenesulfonamide?
N-(pyridin-4-ylmethyl)benzenesulfonamide has a molecular weight of 248.31 g/mol, XLogP of 1.56, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(pyridin-4-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 818674), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).