3-(benzenesulfonyl)-N-pyridin-2-ylpropanamide

C14H14N2O3S — CID 3163456

IUPAC3-(benzenesulfonyl)-N-pyridin-2-ylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccccn1
InChIInChI=1S/C14H14N2O3S/c17-14(16-13-8-4-5-10-15-13)9-11-20(18,19)12-6-2-1-3-7-12/h1-8,10H,9,11H2,(H,15,16,17)
InChIKeySSHFCLIYZBJCGP-UHFFFAOYSA-N
MW290.34 g/mol
LogP1.88
Rot. Bonds5

About 3-(benzenesulfonyl)-N-pyridin-2-ylpropanamide

3-(benzenesulfonyl)-N-pyridin-2-ylpropanamide (PubChem CID 3163456) has the molecular formula C14H14N2O3S and a molecular weight of 290.34 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-pyridin-2-ylpropanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-pyridin-2-ylpropanamide
PubChem CID3163456
Molecular FormulaC14H14N2O3S
Molecular Weight290.34 g/mol
Exact Mass290.07
IUPAC Name3-(benzenesulfonyl)-N-pyridin-2-ylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1ccccn1
InChIInChI=1S/C14H14N2O3S/c17-14(16-13-8-4-5-10-15-13)9-11-20(18,19)12-6-2-1-3-7-12/h1-8,10H,9,11H2,(H,15,16,17)
InChIKeySSHFCLIYZBJCGP-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-pyridin-2-ylpropanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-pyridin-2-ylpropanamide (CID 3163456) is 3-(benzenesulfonyl)-N-pyridin-2-ylpropanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-pyridin-2-ylpropanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-pyridin-2-ylpropanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1ccccn1.
What is the InChIKey of 3-(benzenesulfonyl)-N-pyridin-2-ylpropanamide?
The InChIKey is SSHFCLIYZBJCGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O3S/c17-14(16-13-8-4-5-10-15-13)9-11-20(18,19)12-6-2-1-3-7-12/h1-8,10H,9,11H2,(H,15,16,17).
What are the key properties of 3-(benzenesulfonyl)-N-pyridin-2-ylpropanamide?
3-(benzenesulfonyl)-N-pyridin-2-ylpropanamide has a molecular weight of 290.34 g/mol, XLogP of 1.88, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-pyridin-2-ylpropanamide is sourced from PubChem (CID 3163456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).