4-(2,5-dichlorophenyl)sulfinylpentan-2-one

C11H12Cl2O2S — CID 64702900

IUPAC4-(2,5-dichlorophenyl)sulfinylpentan-2-one
SMILESCC(=O)CC(C)S(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl2O2S/c1-7(14)5-8(2)16(15)11-6-9(12)3-4-10(11)13/h3-4,6,8H,5H2,1-2H3
InChIKeyCHULXLOJJILVLU-UHFFFAOYSA-N
MW279.19 g/mol
LogP3.47
Rot. Bonds4

About 4-(2,5-dichlorophenyl)sulfinylpentan-2-one

4-(2,5-dichlorophenyl)sulfinylpentan-2-one (PubChem CID 64702900) has the molecular formula C11H12Cl2O2S and a molecular weight of 279.19 g/mol. Its IUPAC name is 4-(2,5-dichlorophenyl)sulfinylpentan-2-one.

Molecular Properties

Compound Name4-(2,5-dichlorophenyl)sulfinylpentan-2-one
PubChem CID64702900
Molecular FormulaC11H12Cl2O2S
Molecular Weight279.19 g/mol
Exact Mass277.99
IUPAC Name4-(2,5-dichlorophenyl)sulfinylpentan-2-one
SMILESCC(=O)CC(C)S(=O)c1cc(Cl)ccc1Cl
InChIInChI=1S/C11H12Cl2O2S/c1-7(14)5-8(2)16(15)11-6-9(12)3-4-10(11)13/h3-4,6,8H,5H2,1-2H3
InChIKeyCHULXLOJJILVLU-UHFFFAOYSA-N
XLogP3.47
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.19
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-(2,4-difluorophenyl)sulfinylpentan-2-one
CID 64703683
4-(3-bromophenyl)sulfinylpentan-2-one
CID 64705238
1-(2,5-dichlorophenyl)sulfinyl-N-ethylpropan-2-amine
CID 64660271
4-(4-methylsulfonylphenyl)sulfinylpentan-2-one
CID 64703865
N-[2-(2,5-dichlorophenyl)sulfinylethyl]propan-2-amine
CID 64657735
2,5-dichlorobenzenesulfinate
CID 5236909
4-(2,5-dichlorophenyl)sulfinyl-N-methylbutan-2-amine
CID 64657739
6-(2,5-dichlorophenyl)sulfinylhexan-2-amine
CID 64660268
3-[(2,4-dichlorophenyl)methylsulfinyl]butanoic acid
CID 66112809
1-(2,5-dichlorophenyl)butane-1,3-dione
CID 43089597
4-(2,5-dichlorophenyl)-3-methylbutan-2-one
CID 65316691
2-(2-chlorophenyl)sulfinyl-3-methylbutanoic acid
CID 61303125

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorophenyl)sulfinylpentan-2-one?
The IUPAC name of 4-(2,5-dichlorophenyl)sulfinylpentan-2-one (CID 64702900) is 4-(2,5-dichlorophenyl)sulfinylpentan-2-one.
What is the SMILES notation for 4-(2,5-dichlorophenyl)sulfinylpentan-2-one?
The canonical SMILES for 4-(2,5-dichlorophenyl)sulfinylpentan-2-one is CC(=O)CC(C)S(=O)c1cc(Cl)ccc1Cl.
What is the InChIKey of 4-(2,5-dichlorophenyl)sulfinylpentan-2-one?
The InChIKey is CHULXLOJJILVLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12Cl2O2S/c1-7(14)5-8(2)16(15)11-6-9(12)3-4-10(11)13/h3-4,6,8H,5H2,1-2H3.
What are the key properties of 4-(2,5-dichlorophenyl)sulfinylpentan-2-one?
4-(2,5-dichlorophenyl)sulfinylpentan-2-one has a molecular weight of 279.19 g/mol, XLogP of 3.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorophenyl)sulfinylpentan-2-one is sourced from PubChem (CID 64702900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).