3-benzylsulfonyl-N-pyridin-3-ylpropanamide

C15H16N2O3S — CID 6488980

IUPAC3-benzylsulfonyl-N-pyridin-3-ylpropanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1)Nc1cccnc1
InChIInChI=1S/C15H16N2O3S/c18-15(17-14-7-4-9-16-11-14)8-10-21(19,20)12-13-5-2-1-3-6-13/h1-7,9,11H,8,10,12H2,(H,17,18)
InChIKeyRTAAABZZULEJGD-UHFFFAOYSA-N
MW304.37 g/mol
LogP2.03
Rot. Bonds6

About 3-benzylsulfonyl-N-pyridin-3-ylpropanamide

3-benzylsulfonyl-N-pyridin-3-ylpropanamide (PubChem CID 6488980) has the molecular formula C15H16N2O3S and a molecular weight of 304.37 g/mol. Its IUPAC name is 3-benzylsulfonyl-N-pyridin-3-ylpropanamide.

Molecular Properties

Compound Name3-benzylsulfonyl-N-pyridin-3-ylpropanamide
PubChem CID6488980
Molecular FormulaC15H16N2O3S
Molecular Weight304.37 g/mol
Exact Mass304.09
IUPAC Name3-benzylsulfonyl-N-pyridin-3-ylpropanamide
SMILESO=C(CCS(=O)(=O)Cc1ccccc1)Nc1cccnc1
InChIInChI=1S/C15H16N2O3S/c18-15(17-14-7-4-9-16-11-14)8-10-21(19,20)12-13-5-2-1-3-6-13/h1-7,9,11H,8,10,12H2,(H,17,18)
InChIKeyRTAAABZZULEJGD-UHFFFAOYSA-N
XLogP2.03
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.37
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzylsulfonyl-N-pyridin-3-ylpropanamide?
The IUPAC name of 3-benzylsulfonyl-N-pyridin-3-ylpropanamide (CID 6488980) is 3-benzylsulfonyl-N-pyridin-3-ylpropanamide.
What is the SMILES notation for 3-benzylsulfonyl-N-pyridin-3-ylpropanamide?
The canonical SMILES for 3-benzylsulfonyl-N-pyridin-3-ylpropanamide is O=C(CCS(=O)(=O)Cc1ccccc1)Nc1cccnc1.
What is the InChIKey of 3-benzylsulfonyl-N-pyridin-3-ylpropanamide?
The InChIKey is RTAAABZZULEJGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2O3S/c18-15(17-14-7-4-9-16-11-14)8-10-21(19,20)12-13-5-2-1-3-6-13/h1-7,9,11H,8,10,12H2,(H,17,18).
What are the key properties of 3-benzylsulfonyl-N-pyridin-3-ylpropanamide?
3-benzylsulfonyl-N-pyridin-3-ylpropanamide has a molecular weight of 304.37 g/mol, XLogP of 2.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzylsulfonyl-N-pyridin-3-ylpropanamide is sourced from PubChem (CID 6488980), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).