2-[(3-chloro-2-pyridinyl)sulfonyl]propanamide

C8H9ClN2O3S — CID 51085725

IUPAC2-[(3-chloro-2-pyridinyl)sulfonyl]propanamide
SMILESCC(C(N)=O)S(=O)(=O)c1ncccc1Cl
InChIInChI=1S/C8H9ClN2O3S/c1-5(7(10)12)15(13,14)8-6(9)3-2-4-11-8/h2-5H,1H3,(H2,10,12)
InChIKeyWZNCYMHOYWBPDS-UHFFFAOYSA-N
MW248.69 g/mol
LogP0.38
Rot. Bonds3

About 2-[(3-chloro-2-pyridinyl)sulfonyl]propanamide

2-[(3-chloro-2-pyridinyl)sulfonyl]propanamide (PubChem CID 51085725) has the molecular formula C8H9ClN2O3S and a molecular weight of 248.69 g/mol. Its IUPAC name is 2-[(3-chloro-2-pyridinyl)sulfonyl]propanamide.

Molecular Properties

Compound Name2-[(3-chloro-2-pyridinyl)sulfonyl]propanamide
PubChem CID51085725
Molecular FormulaC8H9ClN2O3S
Molecular Weight248.69 g/mol
Exact Mass248.00
IUPAC Name2-[(3-chloro-2-pyridinyl)sulfonyl]propanamide
SMILESCC(C(N)=O)S(=O)(=O)c1ncccc1Cl
InChIInChI=1S/C8H9ClN2O3S/c1-5(7(10)12)15(13,14)8-6(9)3-2-4-11-8/h2-5H,1H3,(H2,10,12)
InChIKeyWZNCYMHOYWBPDS-UHFFFAOYSA-N
XLogP0.38
TPSA90.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.69
LogP ≤ 50.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfonyl]propanamide?
The IUPAC name of 2-[(3-chloro-2-pyridinyl)sulfonyl]propanamide (CID 51085725) is 2-[(3-chloro-2-pyridinyl)sulfonyl]propanamide.
What is the SMILES notation for 2-[(3-chloro-2-pyridinyl)sulfonyl]propanamide?
The canonical SMILES for 2-[(3-chloro-2-pyridinyl)sulfonyl]propanamide is CC(C(N)=O)S(=O)(=O)c1ncccc1Cl.
What is the InChIKey of 2-[(3-chloro-2-pyridinyl)sulfonyl]propanamide?
The InChIKey is WZNCYMHOYWBPDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3S/c1-5(7(10)12)15(13,14)8-6(9)3-2-4-11-8/h2-5H,1H3,(H2,10,12).
What are the key properties of 2-[(3-chloro-2-pyridinyl)sulfonyl]propanamide?
2-[(3-chloro-2-pyridinyl)sulfonyl]propanamide has a molecular weight of 248.69 g/mol, XLogP of 0.38, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-2-pyridinyl)sulfonyl]propanamide is sourced from PubChem (CID 51085725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).