N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide

C9H11ClN2O3S — CID 55756646

IUPACN-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)Nc1ccc(Cl)cn1)S(C)(=O)=O
InChIInChI=1S/C9H11ClN2O3S/c1-6(16(2,14)15)9(13)12-8-4-3-7(10)5-11-8/h3-6H,1-2H3,(H,11,12,13)
InChIKeySLIQZNMRTOYJQG-UHFFFAOYSA-N
MW262.72 g/mol
LogP1.11
Rot. Bonds3

About N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide

N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide (PubChem CID 55756646) has the molecular formula C9H11ClN2O3S and a molecular weight of 262.72 g/mol. Its IUPAC name is N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide
PubChem CID55756646
Molecular FormulaC9H11ClN2O3S
Molecular Weight262.72 g/mol
Exact Mass262.02
IUPAC NameN-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide
SMILESCC(C(=O)Nc1ccc(Cl)cn1)S(C)(=O)=O
InChIInChI=1S/C9H11ClN2O3S/c1-6(16(2,14)15)9(13)12-8-4-3-7(10)5-11-8/h3-6H,1-2H3,(H,11,12,13)
InChIKeySLIQZNMRTOYJQG-UHFFFAOYSA-N
XLogP1.11
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-methyl-2-pyridinyl)-2-methylsulfonylpropanamide
CID 94025050
6-(2-methylsulfonylpropanoylamino)pyridine-3-carboxylic acid
CID 113421841
(2S)-2-amino-N-(5-chloro-2-pyridinyl)propanamide
CID 61146165
2-amino-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 76892362
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-methylsulfonylpiperazin-1-yl)propanamide
CID 31872788
2-(aminomethyl)-N-(5-chloro-2-pyridinyl)-3-methylbutanamide
CID 65226103
N-(5-bromo-4-methyl-2-pyridinyl)-2-methylsulfonylpropanamide
CID 112697409
2-amino-N-(5-chloro-2-pyridinyl)butanamide
CID 60779855
5-amino-N-(5-chloro-2-pyridinyl)-2-methylpentanamide
CID 104683574
(2R)-N-(5-chloro-2-pyridinyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 2536471
4-chloro-N-[1-[(5-chloro-2-pyridinyl)amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 43019519
(2S)-N-(5-chloro-2-pyridinyl)-2-(4-iodoanilino)propanamide
CID 25381234

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide?
The IUPAC name of N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide (CID 55756646) is N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide.
What is the SMILES notation for N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide?
The canonical SMILES for N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide is CC(C(=O)Nc1ccc(Cl)cn1)S(C)(=O)=O.
What is the InChIKey of N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide?
The InChIKey is SLIQZNMRTOYJQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3S/c1-6(16(2,14)15)9(13)12-8-4-3-7(10)5-11-8/h3-6H,1-2H3,(H,11,12,13).
What are the key properties of N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide?
N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide has a molecular weight of 262.72 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-pyridinyl)-2-methylsulfonylpropanamide is sourced from PubChem (CID 55756646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).