4-acetyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

C14H14N2O3S — CID 746813

IUPAC4-acetyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2cccnc2)cc1
InChIInChI=1S/C14H14N2O3S/c1-11(17)13-4-6-14(7-5-13)20(18,19)16-10-12-3-2-8-15-9-12/h2-9,16H,10H2,1H3
InChIKeyPQSCMSYWIGWNCK-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.76
Rot. Bonds5

About 4-acetyl-N-(pyridin-3-ylmethyl)benzenesulfonamide

4-acetyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (PubChem CID 746813) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 4-acetyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-acetyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
PubChem CID746813
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name4-acetyl-N-(pyridin-3-ylmethyl)benzenesulfonamide
SMILESCC(=O)c1ccc(S(=O)(=O)NCc2cccnc2)cc1
InChIInChI=1S/C14H14N2O3S/c1-11(17)13-4-6-14(7-5-13)20(18,19)16-10-12-3-2-8-15-9-12/h2-9,16H,10H2,1H3
InChIKeyPQSCMSYWIGWNCK-UHFFFAOYSA-N
XLogP1.76
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.34
LogP ≤ 51.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-acetyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-acetyl-N-(pyridin-3-ylmethyl)benzenesulfonamide (CID 746813) is 4-acetyl-N-(pyridin-3-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-acetyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-acetyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is CC(=O)c1ccc(S(=O)(=O)NCc2cccnc2)cc1.
What is the InChIKey of 4-acetyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
The InChIKey is PQSCMSYWIGWNCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c1-11(17)13-4-6-14(7-5-13)20(18,19)16-10-12-3-2-8-15-9-12/h2-9,16H,10H2,1H3.
What are the key properties of 4-acetyl-N-(pyridin-3-ylmethyl)benzenesulfonamide?
4-acetyl-N-(pyridin-3-ylmethyl)benzenesulfonamide has a molecular weight of 290.34 g/mol, XLogP of 1.76, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-acetyl-N-(pyridin-3-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 746813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).