2-(2-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanone

C14H12ClNOS — CID 66271398

IUPAC2-(2-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanone
SMILESCc1ccncc1C(=O)CSc1ccccc1Cl
InChIInChI=1S/C14H12ClNOS/c1-10-6-7-16-8-11(10)13(17)9-18-14-5-3-2-4-12(14)15/h2-8H,9H2,1H3
InChIKeyCWNHZJFBODXHPW-UHFFFAOYSA-N
MW277.78 g/mol
LogP4.02
Rot. Bonds4

About 2-(2-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanone

2-(2-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanone (PubChem CID 66271398) has the molecular formula C14H12ClNOS and a molecular weight of 277.78 g/mol. Its IUPAC name is 2-(2-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanone.

Molecular Properties

Compound Name2-(2-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanone
PubChem CID66271398
Molecular FormulaC14H12ClNOS
Molecular Weight277.78 g/mol
Exact Mass277.03
IUPAC Name2-(2-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanone
SMILESCc1ccncc1C(=O)CSc1ccccc1Cl
InChIInChI=1S/C14H12ClNOS/c1-10-6-7-16-8-11(10)13(17)9-18-14-5-3-2-4-12(14)15/h2-8H,9H2,1H3
InChIKeyCWNHZJFBODXHPW-UHFFFAOYSA-N
XLogP4.02
TPSA29.96 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.78
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-amino-5-methyl-3-pyridinyl)-2-(2-chlorophenyl)sulfanylethanone
CID 66139550
2-(2-methylphenyl)sulfanyl-1-[4-(trifluoromethyl)-3-pyridinyl]ethanone
CID 102707642
2-(2-chloro-4-methylphenyl)-1-(4-methyl-3-pyridinyl)ethanone
CID 106867165
1-(2-chlorophenyl)sulfanyl-3-pyridin-4-ylpropan-2-one
CID 66141536
2-(2-chlorophenyl)sulfanyl-1-(5-fluoro-3-pyridinyl)ethanone
CID 66142157
2-(2-chlorophenyl)sulfanyl-1-(3-fluoro-4-methylphenyl)ethanone
CID 107128341
2-bromo-1-(4-methyl-3-pyridinyl)ethanone;hydrochloride
CID 86636889
1-(2-chlorophenyl)-2-(4-methylphenyl)sulfanylethanone
CID 43218654
2-(2-bromophenyl)sulfanyl-1-(2-chlorophenyl)ethanone
CID 43231190
3-(2-methylphenyl)-1-(4-methyl-3-pyridinyl)propan-1-one
CID 105113496
2-(dimethylamino)-1-(4-methyl-3-pyridinyl)ethanone
CID 79078017
4-methylpyridine-3-carbonyl chloride
CID 22386188

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanone?
The IUPAC name of 2-(2-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanone (CID 66271398) is 2-(2-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanone.
What is the SMILES notation for 2-(2-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanone?
The canonical SMILES for 2-(2-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanone is Cc1ccncc1C(=O)CSc1ccccc1Cl.
What is the InChIKey of 2-(2-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanone?
The InChIKey is CWNHZJFBODXHPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12ClNOS/c1-10-6-7-16-8-11(10)13(17)9-18-14-5-3-2-4-12(14)15/h2-8H,9H2,1H3.
What are the key properties of 2-(2-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanone?
2-(2-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanone has a molecular weight of 277.78 g/mol, XLogP of 4.02, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)sulfanyl-1-(4-methyl-3-pyridinyl)ethanone is sourced from PubChem (CID 66271398), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).