1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-one

C9H10ClNO3S — CID 114983965

IUPAC1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-one
SMILESCS(=O)(=O)CCC(=O)c1ccncc1Cl
InChIInChI=1S/C9H10ClNO3S/c1-15(13,14)5-3-9(12)7-2-4-11-6-8(7)10/h2,4,6H,3,5H2,1H3
InChIKeyLUQBGBVIWLLAPE-UHFFFAOYSA-N
MW247.70 g/mol
LogP1.35
Rot. Bonds4

About 1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-one

1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-one (PubChem CID 114983965) has the molecular formula C9H10ClNO3S and a molecular weight of 247.70 g/mol. Its IUPAC name is 1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-one
PubChem CID114983965
Molecular FormulaC9H10ClNO3S
Molecular Weight247.70 g/mol
Exact Mass247.01
IUPAC Name1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-one
SMILESCS(=O)(=O)CCC(=O)c1ccncc1Cl
InChIInChI=1S/C9H10ClNO3S/c1-15(13,14)5-3-9(12)7-2-4-11-6-8(7)10/h2,4,6H,3,5H2,1H3
InChIKeyLUQBGBVIWLLAPE-UHFFFAOYSA-N
XLogP1.35
TPSA64.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.70
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(2,4-dichlorophenyl)-3-methylsulfonylpropan-1-one
CID 114969550
1-(2,5-dichlorophenyl)-3-methylsulfonylpropan-1-one
CID 114969573
1-(3-chloro-4-pyridinyl)-2-propan-2-yloxyethanone
CID 105117184
1-(3-chloro-4-pyridinyl)-5,5,5-trifluoropentan-1-one
CID 105123407
(3S)-1-(3-chloro-4-pyridinyl)-3-methylpentan-1-one
CID 97134527
1-(3-chloro-4-pyridinyl)oct-7-en-1-one
CID 107011107
1-(3-chloro-4-pyridinyl)-2-phenylethanone
CID 105077956
3-chloro-N-[2-(methanesulfonamido)ethyl]pyridine-4-carboxamide
CID 66464224
4-chloro-N-(3-methylsulfonylpropyl)pyridine-3-carboxamide
CID 81226430
1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-ol
CID 114983838
1-(3-chloro-4-pyridinyl)-2-(2,6-dimethylphenyl)ethanone
CID 105123580
1-(5-chloro-2-methylphenyl)-3-methylsulfonylpropan-1-one
CID 114969589

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-one?
The IUPAC name of 1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-one (CID 114983965) is 1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-one.
What is the SMILES notation for 1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-one?
The canonical SMILES for 1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-one is CS(=O)(=O)CCC(=O)c1ccncc1Cl.
What is the InChIKey of 1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-one?
The InChIKey is LUQBGBVIWLLAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10ClNO3S/c1-15(13,14)5-3-9(12)7-2-4-11-6-8(7)10/h2,4,6H,3,5H2,1H3.
What are the key properties of 1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-one?
1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-one has a molecular weight of 247.70 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-pyridinyl)-3-methylsulfonylpropan-1-one is sourced from PubChem (CID 114983965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).