6-(2-chlorophenyl)sulfonylhexan-3-one

C12H15ClO3S — CID 106807675

IUPAC6-(2-chlorophenyl)sulfonylhexan-3-one
SMILESCCC(=O)CCCS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C12H15ClO3S/c1-2-10(14)6-5-9-17(15,16)12-8-4-3-7-11(12)13/h3-4,7-8H,2,5-6,9H2,1H3
InChIKeyRQVHGYUILHVCTA-UHFFFAOYSA-N
MW274.77 g/mol
LogP2.87
Rot. Bonds6

About 6-(2-chlorophenyl)sulfonylhexan-3-one

6-(2-chlorophenyl)sulfonylhexan-3-one (PubChem CID 106807675) has the molecular formula C12H15ClO3S and a molecular weight of 274.77 g/mol. Its IUPAC name is 6-(2-chlorophenyl)sulfonylhexan-3-one.

Molecular Properties

Compound Name6-(2-chlorophenyl)sulfonylhexan-3-one
PubChem CID106807675
Molecular FormulaC12H15ClO3S
Molecular Weight274.77 g/mol
Exact Mass274.04
IUPAC Name6-(2-chlorophenyl)sulfonylhexan-3-one
SMILESCCC(=O)CCCS(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C12H15ClO3S/c1-2-10(14)6-5-9-17(15,16)12-8-4-3-7-11(12)13/h3-4,7-8H,2,5-6,9H2,1H3
InChIKeyRQVHGYUILHVCTA-UHFFFAOYSA-N
XLogP2.87
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

6-(2-fluorophenyl)sulfonylhexan-3-one
CID 106807678
methyl 4-(2-chlorophenyl)sulfonylbutanoate
CID 43378385
6-(2-nitrophenyl)sulfonylhexan-3-one
CID 106808564
4-(2-chlorophenyl)sulfonyl-2-methylbutan-2-ol
CID 139004687
1-(3-azidopropylsulfonyl)-2-chlorobenzene
CID 55138385
6-(4-methylsulfonylphenyl)sulfonylhexan-3-one
CID 106808579
6-(2-chlorophenyl)sulfonyl-2,2-dimethylhexan-1-amine
CID 106714731
1-(2,6-dichlorophenyl)-5-ethylsulfonylpentan-2-one
CID 65097700
3-(2-chlorophenyl)sulfonyl-N-[4-(diethylamino)phenyl]propanamide
CID 110424776
2-(2-chlorophenyl)sulfonylacetamide
CID 13345372
1-(2-propylsulfonylphenyl)butan-2-one
CID 63199177
3-(2-chlorophenyl)sulfonyl-1-(2,6-dimethylpiperidin-1-yl)propan-1-one
CID 110675372

Frequently Asked Questions

What is the IUPAC name of 6-(2-chlorophenyl)sulfonylhexan-3-one?
The IUPAC name of 6-(2-chlorophenyl)sulfonylhexan-3-one (CID 106807675) is 6-(2-chlorophenyl)sulfonylhexan-3-one.
What is the SMILES notation for 6-(2-chlorophenyl)sulfonylhexan-3-one?
The canonical SMILES for 6-(2-chlorophenyl)sulfonylhexan-3-one is CCC(=O)CCCS(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 6-(2-chlorophenyl)sulfonylhexan-3-one?
The InChIKey is RQVHGYUILHVCTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClO3S/c1-2-10(14)6-5-9-17(15,16)12-8-4-3-7-11(12)13/h3-4,7-8H,2,5-6,9H2,1H3.
What are the key properties of 6-(2-chlorophenyl)sulfonylhexan-3-one?
6-(2-chlorophenyl)sulfonylhexan-3-one has a molecular weight of 274.77 g/mol, XLogP of 2.87, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-chlorophenyl)sulfonylhexan-3-one is sourced from PubChem (CID 106807675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).