N-(4-chloro-2-pyridinyl)-2-(3-methylsulfonylphenyl)acetamide

C14H13ClN2O3S — CID 172570951

IUPACN-(4-chloro-2-pyridinyl)-2-(3-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1cccc(CC(=O)Nc2cc(Cl)ccn2)c1
InChIInChI=1S/C14H13ClN2O3S/c1-21(19,20)12-4-2-3-10(7-12)8-14(18)17-13-9-11(15)5-6-16-13/h2-7,9H,8H2,1H3,(H,16,17,18)
InChIKeyDGPJGIGUXQKVSP-UHFFFAOYSA-N
MW324.79 g/mol
LogP2.32
Rot. Bonds4

About N-(4-chloro-2-pyridinyl)-2-(3-methylsulfonylphenyl)acetamide

N-(4-chloro-2-pyridinyl)-2-(3-methylsulfonylphenyl)acetamide (PubChem CID 172570951) has the molecular formula C14H13ClN2O3S and a molecular weight of 324.79 g/mol. Its IUPAC name is N-(4-chloro-2-pyridinyl)-2-(3-methylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-(4-chloro-2-pyridinyl)-2-(3-methylsulfonylphenyl)acetamide
PubChem CID172570951
Molecular FormulaC14H13ClN2O3S
Molecular Weight324.79 g/mol
Exact Mass324.03
IUPAC NameN-(4-chloro-2-pyridinyl)-2-(3-methylsulfonylphenyl)acetamide
SMILESCS(=O)(=O)c1cccc(CC(=O)Nc2cc(Cl)ccn2)c1
InChIInChI=1S/C14H13ClN2O3S/c1-21(19,20)12-4-2-3-10(7-12)8-14(18)17-13-9-11(15)5-6-16-13/h2-7,9H,8H2,1H3,(H,16,17,18)
InChIKeyDGPJGIGUXQKVSP-UHFFFAOYSA-N
XLogP2.32
TPSA76.13 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.79
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)-N-(4-chloro-2-pyridinyl)acetamide
CID 115627297
N-(4-chloro-2-pyridinyl)-2-(4-methylphenyl)acetamide
CID 115626697
N-(4-chloro-2-pyridinyl)-2-hydroxyacetamide
CID 83768276
2-(3-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone
CID 114962432
2-(3-chlorophenyl)-N-pyrazin-2-ylacetamide
CID 127120451
2-(3-chloro-4-methylsulfonylphenyl)-N-[4-[[2-(2,6-dichlorophenyl)acetyl]amino]-2-pyridinyl]acetamide
CID 175434292
N-(4-chloro-2-pyridinyl)-2-(4-nitrophenyl)acetamide
CID 115577532
1-benzyl-3-(4-chloro-2-pyridinyl)urea
CID 108871348
N-(3-methylsulfonylphenyl)-2-quinolin-6-ylacetamide
CID 154848531
N-(4-chloro-2-pyridinyl)-3-(dimethylamino)propanamide
CID 130770747
1-(4-chloro-2-pyridinyl)-3-[2-(3-methylphenyl)ethyl]urea
CID 108900861
2-amino-N-(4-chloro-2-pyridinyl)-4-methylsulfonylbutanamide
CID 114052256

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-2-pyridinyl)-2-(3-methylsulfonylphenyl)acetamide?
The IUPAC name of N-(4-chloro-2-pyridinyl)-2-(3-methylsulfonylphenyl)acetamide (CID 172570951) is N-(4-chloro-2-pyridinyl)-2-(3-methylsulfonylphenyl)acetamide.
What is the SMILES notation for N-(4-chloro-2-pyridinyl)-2-(3-methylsulfonylphenyl)acetamide?
The canonical SMILES for N-(4-chloro-2-pyridinyl)-2-(3-methylsulfonylphenyl)acetamide is CS(=O)(=O)c1cccc(CC(=O)Nc2cc(Cl)ccn2)c1.
What is the InChIKey of N-(4-chloro-2-pyridinyl)-2-(3-methylsulfonylphenyl)acetamide?
The InChIKey is DGPJGIGUXQKVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O3S/c1-21(19,20)12-4-2-3-10(7-12)8-14(18)17-13-9-11(15)5-6-16-13/h2-7,9H,8H2,1H3,(H,16,17,18).
What are the key properties of N-(4-chloro-2-pyridinyl)-2-(3-methylsulfonylphenyl)acetamide?
N-(4-chloro-2-pyridinyl)-2-(3-methylsulfonylphenyl)acetamide has a molecular weight of 324.79 g/mol, XLogP of 2.32, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-2-pyridinyl)-2-(3-methylsulfonylphenyl)acetamide is sourced from PubChem (CID 172570951), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).