3-(4-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one

C16H15FO3S — CID 4626060

IUPAC3-(4-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FO3S/c1-12-2-4-13(5-3-12)16(18)10-11-21(19,20)15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3
InChIKeyODDZUCRQOLEWCH-UHFFFAOYSA-N
MW306.36 g/mol
LogP3.18
Rot. Bonds5

About 3-(4-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one

3-(4-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one (PubChem CID 4626060) has the molecular formula C16H15FO3S and a molecular weight of 306.36 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one
PubChem CID4626060
Molecular FormulaC16H15FO3S
Molecular Weight306.36 g/mol
Exact Mass306.07
IUPAC Name3-(4-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one
SMILESCc1ccc(C(=O)CCS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C16H15FO3S/c1-12-2-4-13(5-3-12)16(18)10-11-21(19,20)15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3
InChIKeyODDZUCRQOLEWCH-UHFFFAOYSA-N
XLogP3.18
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.36
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one (CID 4626060) is 3-(4-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one is Cc1ccc(C(=O)CCS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one?
The InChIKey is ODDZUCRQOLEWCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15FO3S/c1-12-2-4-13(5-3-12)16(18)10-11-21(19,20)15-8-6-14(17)7-9-15/h2-9H,10-11H2,1H3.
What are the key properties of 3-(4-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one?
3-(4-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one has a molecular weight of 306.36 g/mol, XLogP of 3.18, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-1-(4-methylphenyl)propan-1-one is sourced from PubChem (CID 4626060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).