9-(4-chlorophenyl)sulfonylnon-6-en-2-one

C15H19ClO3S — CID 71338060

IUPAC9-(4-chlorophenyl)sulfonylnon-6-en-2-one
SMILESCC(=O)CCCC=CCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClO3S/c1-13(17)7-5-3-2-4-6-12-20(18,19)15-10-8-14(16)9-11-15/h2,4,8-11H,3,5-7,12H2,1H3
InChIKeyWWSLBNRBDMBTRN-UHFFFAOYSA-N
MW314.83 g/mol
LogP3.82
Rot. Bonds8

About 9-(4-chlorophenyl)sulfonylnon-6-en-2-one

9-(4-chlorophenyl)sulfonylnon-6-en-2-one (PubChem CID 71338060) has the molecular formula C15H19ClO3S and a molecular weight of 314.83 g/mol. Its IUPAC name is 9-(4-chlorophenyl)sulfonylnon-6-en-2-one.

Molecular Properties

Compound Name9-(4-chlorophenyl)sulfonylnon-6-en-2-one
PubChem CID71338060
Molecular FormulaC15H19ClO3S
Molecular Weight314.83 g/mol
Exact Mass314.07
IUPAC Name9-(4-chlorophenyl)sulfonylnon-6-en-2-one
SMILESCC(=O)CCCC=CCCS(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C15H19ClO3S/c1-13(17)7-5-3-2-4-6-12-20(18,19)15-10-8-14(16)9-11-15/h2,4,8-11H,3,5-7,12H2,1H3
InChIKeyWWSLBNRBDMBTRN-UHFFFAOYSA-N
XLogP3.82
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.83
LogP ≤ 53.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-chloro-4-[4-(4-chlorophenyl)sulfonylbutylsulfonyl]benzene
CID 5128073
4-amino-N-[2-(4-chlorophenyl)sulfonylethyl]butanamide
CID 119290606
2-(4-chlorophenyl)sulfonylethylcarbamic acid
CID 54308728
N-[2-(4-chlorophenyl)sulfonylethyl]but-2-ynamide
CID 166403313
5-(4-chlorophenyl)sulfonylpentan-2-ol
CID 106584912
2-[3-(4-chlorophenyl)sulfonylpropyl-methylamino]acetamide
CID 47446513
N-(3-aminopropyl)-3-(4-chlorophenyl)sulfonyl-N-methylpropanamide
CID 64698778
1-(3-bromopropylsulfonyl)-4-chlorobenzene
CID 10827889
1-chloro-4-(4-chlorobutylsulfonyl)benzene
CID 21272154
3-amino-N-[2-(4-chlorophenyl)sulfonylethyl]propanamide;hydrochloride
CID 119290585
1-(2-bromoethylsulfonyl)-4-chlorobenzene
CID 18526465
3-(4-chlorophenyl)sulfonyl-N-(2,6-diethylphenyl)propanamide
CID 18076703

Frequently Asked Questions

What is the IUPAC name of 9-(4-chlorophenyl)sulfonylnon-6-en-2-one?
The IUPAC name of 9-(4-chlorophenyl)sulfonylnon-6-en-2-one (CID 71338060) is 9-(4-chlorophenyl)sulfonylnon-6-en-2-one.
What is the SMILES notation for 9-(4-chlorophenyl)sulfonylnon-6-en-2-one?
The canonical SMILES for 9-(4-chlorophenyl)sulfonylnon-6-en-2-one is CC(=O)CCCC=CCCS(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 9-(4-chlorophenyl)sulfonylnon-6-en-2-one?
The InChIKey is WWSLBNRBDMBTRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClO3S/c1-13(17)7-5-3-2-4-6-12-20(18,19)15-10-8-14(16)9-11-15/h2,4,8-11H,3,5-7,12H2,1H3.
What are the key properties of 9-(4-chlorophenyl)sulfonylnon-6-en-2-one?
9-(4-chlorophenyl)sulfonylnon-6-en-2-one has a molecular weight of 314.83 g/mol, XLogP of 3.82, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(4-chlorophenyl)sulfonylnon-6-en-2-one is sourced from PubChem (CID 71338060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).