2-chloro-1-(2,4-dichlorophenyl)-2-methylsulfonylpropan-1-one

C10H9Cl3O3S — CID 102549756

IUPAC2-chloro-1-(2,4-dichlorophenyl)-2-methylsulfonylpropan-1-one
SMILESCC(Cl)(C(=O)c1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C10H9Cl3O3S/c1-10(13,17(2,15)16)9(14)7-4-3-6(11)5-8(7)12/h3-5H,1-2H3
InChIKeyCUKNQAQOFLANQZ-UHFFFAOYSA-N
MW315.61 g/mol
LogP3.18
Rot. Bonds3

About 2-chloro-1-(2,4-dichlorophenyl)-2-methylsulfonylpropan-1-one

2-chloro-1-(2,4-dichlorophenyl)-2-methylsulfonylpropan-1-one (PubChem CID 102549756) has the molecular formula C10H9Cl3O3S and a molecular weight of 315.61 g/mol. Its IUPAC name is 2-chloro-1-(2,4-dichlorophenyl)-2-methylsulfonylpropan-1-one.

Molecular Properties

Compound Name2-chloro-1-(2,4-dichlorophenyl)-2-methylsulfonylpropan-1-one
PubChem CID102549756
Molecular FormulaC10H9Cl3O3S
Molecular Weight315.61 g/mol
Exact Mass313.93
IUPAC Name2-chloro-1-(2,4-dichlorophenyl)-2-methylsulfonylpropan-1-one
SMILESCC(Cl)(C(=O)c1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C10H9Cl3O3S/c1-10(13,17(2,15)16)9(14)7-4-3-6(11)5-8(7)12/h3-5H,1-2H3
InChIKeyCUKNQAQOFLANQZ-UHFFFAOYSA-N
XLogP3.18
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.61
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-1-(2,4-dichlorophenyl)-2-methylsulfonylbutan-1-one
CID 102549915
1-(2,4-dichlorophenyl)-2-hydroxy-2-iodopropan-1-one
CID 70254435
2-chloro-1-(2,4-dichlorophenyl)-2,2-difluoroethanone
CID 130477601
2,4-dichloro-N-(1-chloro-2-methylpropan-2-yl)benzamide
CID 114295303
2,4-dichloro-N-(1-hydroxy-2-methylpropan-2-yl)benzamide
CID 821745
3-[(2,4-dichlorobenzoyl)amino]-2,2,3-trimethylbutanoic acid
CID 65261533
1-(2,4-dichlorophenyl)-3-methylsulfonylpropan-1-one
CID 114969550
2,4-dichloro-N-(2-hydroxy-2-methylpropyl)benzamide
CID 65109953
4-[(2,4-dichlorobenzoyl)amino]-4-methylpentanoic acid
CID 62044139
2,4-ditert-butyl-1,5-bis(2,4-dichlorophenyl)pentane-1,3,5-trione
CID 139770202
1-(2,4-dichlorophenyl)(214C)ethanone
CID 10750217
2,4-dichloro-N-[2-(methanesulfonamido)phenyl]benzamide
CID 35368130

Frequently Asked Questions

What is the IUPAC name of 2-chloro-1-(2,4-dichlorophenyl)-2-methylsulfonylpropan-1-one?
The IUPAC name of 2-chloro-1-(2,4-dichlorophenyl)-2-methylsulfonylpropan-1-one (CID 102549756) is 2-chloro-1-(2,4-dichlorophenyl)-2-methylsulfonylpropan-1-one.
What is the SMILES notation for 2-chloro-1-(2,4-dichlorophenyl)-2-methylsulfonylpropan-1-one?
The canonical SMILES for 2-chloro-1-(2,4-dichlorophenyl)-2-methylsulfonylpropan-1-one is CC(Cl)(C(=O)c1ccc(Cl)cc1Cl)S(C)(=O)=O.
What is the InChIKey of 2-chloro-1-(2,4-dichlorophenyl)-2-methylsulfonylpropan-1-one?
The InChIKey is CUKNQAQOFLANQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9Cl3O3S/c1-10(13,17(2,15)16)9(14)7-4-3-6(11)5-8(7)12/h3-5H,1-2H3.
What are the key properties of 2-chloro-1-(2,4-dichlorophenyl)-2-methylsulfonylpropan-1-one?
2-chloro-1-(2,4-dichlorophenyl)-2-methylsulfonylpropan-1-one has a molecular weight of 315.61 g/mol, XLogP of 3.18, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-1-(2,4-dichlorophenyl)-2-methylsulfonylpropan-1-one is sourced from PubChem (CID 102549756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).