2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide

C8H9ClN2O3S — CID 43696835

IUPAC2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CCl)cn1
InChIInChI=1S/C8H9ClN2O3S/c1-15(13,14)8-3-2-6(5-10-8)11-7(12)4-9/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyUBRVWUSPISOFTR-UHFFFAOYSA-N
MW248.69 g/mol
LogP0.66
Rot. Bonds3

About 2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide

2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide (PubChem CID 43696835) has the molecular formula C8H9ClN2O3S and a molecular weight of 248.69 g/mol. Its IUPAC name is 2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide.

Molecular Properties

Compound Name2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide
PubChem CID43696835
Molecular FormulaC8H9ClN2O3S
Molecular Weight248.69 g/mol
Exact Mass248.00
IUPAC Name2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide
SMILESCS(=O)(=O)c1ccc(NC(=O)CCl)cn1
InChIInChI=1S/C8H9ClN2O3S/c1-15(13,14)8-3-2-6(5-10-8)11-7(12)4-9/h2-3,5H,4H2,1H3,(H,11,12)
InChIKeyUBRVWUSPISOFTR-UHFFFAOYSA-N
XLogP0.66
TPSA76.13 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 ≤ 50.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
CID 47212321
5-hydroxy-N-(6-methylsulfonyl-3-pyridinyl)pentanamide
CID 79199124
2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethoxy]acetic acid
CID 61329211
2-[2-[(6-methylsulfonyl-3-pyridinyl)amino]-2-oxoethyl]sulfanylacetic acid
CID 113427691
3-(4-chlorophenyl)-N-(6-methylsulfonyl-3-pyridinyl)propanamide
CID 47037109
4-amino-3-methyl-N-(6-methylsulfonyl-3-pyridinyl)butanamide
CID 81075258
2-(2-methoxyethylamino)-N-(6-methylsulfonyl-3-pyridinyl)acetamide;dihydrochloride
CID 119854984
2-chloro-N-(6-methoxy-3-pyridinyl)acetamide
CID 2561820
(2R)-2-amino-N-(6-methylsulfonyl-3-pyridinyl)propanamide
CID 78972498
2-(2-amino-1,3-thiazol-4-yl)-N-(6-methylsulfonyl-3-pyridinyl)acetamide
CID 62797643
4-methyl-N-(6-methylsulfonyl-3-pyridinyl)benzamide
CID 47037064
2-methoxy-N-(6-methylsulfonyl-3-pyridinyl)propanamide
CID 47307987

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide?
The IUPAC name of 2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide (CID 43696835) is 2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide.
What is the SMILES notation for 2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide?
The canonical SMILES for 2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide is CS(=O)(=O)c1ccc(NC(=O)CCl)cn1.
What is the InChIKey of 2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide?
The InChIKey is UBRVWUSPISOFTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9ClN2O3S/c1-15(13,14)8-3-2-6(5-10-8)11-7(12)4-9/h2-3,5H,4H2,1H3,(H,11,12).
What are the key properties of 2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide?
2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide has a molecular weight of 248.69 g/mol, XLogP of 0.66, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-(6-methylsulfonyl-3-pyridinyl)acetamide is sourced from PubChem (CID 43696835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).