(2,3-difluorophenyl)-(3-methylsulfonylphenyl)methanone

C14H10F2O3S — CID 114973502

IUPAC(2,3-difluorophenyl)-(3-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1cccc(C(=O)c2cccc(F)c2F)c1
InChIInChI=1S/C14H10F2O3S/c1-20(18,19)10-5-2-4-9(8-10)14(17)11-6-3-7-12(15)13(11)16/h2-8H,1H3
InChIKeyOBNGMQQNPMHLBA-UHFFFAOYSA-N
MW296.29 g/mol
LogP2.60
Rot. Bonds3

About (2,3-difluorophenyl)-(3-methylsulfonylphenyl)methanone

(2,3-difluorophenyl)-(3-methylsulfonylphenyl)methanone (PubChem CID 114973502) has the molecular formula C14H10F2O3S and a molecular weight of 296.29 g/mol. Its IUPAC name is (2,3-difluorophenyl)-(3-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(2,3-difluorophenyl)-(3-methylsulfonylphenyl)methanone
PubChem CID114973502
Molecular FormulaC14H10F2O3S
Molecular Weight296.29 g/mol
Exact Mass296.03
IUPAC Name(2,3-difluorophenyl)-(3-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1cccc(C(=O)c2cccc(F)c2F)c1
InChIInChI=1S/C14H10F2O3S/c1-20(18,19)10-5-2-4-9(8-10)14(17)11-6-3-7-12(15)13(11)16/h2-8H,1H3
InChIKeyOBNGMQQNPMHLBA-UHFFFAOYSA-N
XLogP2.60
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.29
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(2,3-difluorophenyl)-(3-methylphenyl)methanone
CID 63987550
(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanone
CID 43344607
(4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanone
CID 105398222
(3-bromo-4-fluorophenyl)-(3-methylsulfonylphenyl)methanone
CID 79735532
(2,3-difluorophenyl)-(3-iodophenyl)methanone
CID 114973513
(3-methylsulfonylbenzoyl)azanium
CID 163693398
N-hydroxy-3-methylsulfonylbenzamide
CID 24692724
methyl 3-methylsulfonylbenzoate
CID 6432252
(2,3-difluorophenyl)-(3-fluoro-4-methoxyphenyl)methanone
CID 57322240
N-bromo-3-methylsulfonylbenzamide
CID 174925666
(3-bromo-2-methylphenyl)-(2,3-difluorophenyl)methanone
CID 114973529
N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide
CID 51149042

Frequently Asked Questions

What is the IUPAC name of (2,3-difluorophenyl)-(3-methylsulfonylphenyl)methanone?
The IUPAC name of (2,3-difluorophenyl)-(3-methylsulfonylphenyl)methanone (CID 114973502) is (2,3-difluorophenyl)-(3-methylsulfonylphenyl)methanone.
What is the SMILES notation for (2,3-difluorophenyl)-(3-methylsulfonylphenyl)methanone?
The canonical SMILES for (2,3-difluorophenyl)-(3-methylsulfonylphenyl)methanone is CS(=O)(=O)c1cccc(C(=O)c2cccc(F)c2F)c1.
What is the InChIKey of (2,3-difluorophenyl)-(3-methylsulfonylphenyl)methanone?
The InChIKey is OBNGMQQNPMHLBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F2O3S/c1-20(18,19)10-5-2-4-9(8-10)14(17)11-6-3-7-12(15)13(11)16/h2-8H,1H3.
What are the key properties of (2,3-difluorophenyl)-(3-methylsulfonylphenyl)methanone?
(2,3-difluorophenyl)-(3-methylsulfonylphenyl)methanone has a molecular weight of 296.29 g/mol, XLogP of 2.60, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-difluorophenyl)-(3-methylsulfonylphenyl)methanone is sourced from PubChem (CID 114973502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).