(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanone

C14H10Cl2O3S — CID 43344607

IUPAC(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1cccc(C(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H10Cl2O3S/c1-20(18,19)11-4-2-3-9(7-11)14(17)12-8-10(15)5-6-13(12)16/h2-8H,1H3
InChIKeyZFTJFRDRTNLAFP-UHFFFAOYSA-N
MW329.20 g/mol
LogP3.63
Rot. Bonds3

About (2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanone

(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanone (PubChem CID 43344607) has the molecular formula C14H10Cl2O3S and a molecular weight of 329.20 g/mol. Its IUPAC name is (2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanone
PubChem CID43344607
Molecular FormulaC14H10Cl2O3S
Molecular Weight329.20 g/mol
Exact Mass327.97
IUPAC Name(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1cccc(C(=O)c2cc(Cl)ccc2Cl)c1
InChIInChI=1S/C14H10Cl2O3S/c1-20(18,19)11-4-2-3-9(7-11)14(17)12-8-10(15)5-6-13(12)16/h2-8H,1H3
InChIKeyZFTJFRDRTNLAFP-UHFFFAOYSA-N
XLogP3.63
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.20
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-bromo-5-chloro-2-fluorophenyl)-(3-methylsulfonylphenyl)methanone
CID 105398222
(2,3-difluorophenyl)-(3-methylsulfonylphenyl)methanone
CID 114973502
3-[2-chloro-5-[4-chloro-3-(3-sulfobenzoyl)phenyl]sulfonylbenzoyl]benzenesulfonic acid
CID 89107611
(3-bromo-4-fluorophenyl)-(3-methylsulfonylphenyl)methanone
CID 79735532
N-(5-chloro-2-fluorophenyl)-3-methylsulfonylbenzamide
CID 51149042
(3-methylsulfonylbenzoyl)azanium
CID 163693398
2-(3-chlorophenyl)-1-(3-methylsulfonylphenyl)ethanone
CID 114962432
[3-(2,5-dichlorobenzoyl)phenyl] 2,2-dimethylpropane-1-sulfonate
CID 87143319
3-[3-(2,5-dichlorobenzoyl)phenyl]-1,1,2,2,3,3-hexafluoropropane-1-sulfonic acid
CID 23539910
sodium 4-(2,5-dichlorobenzoyl)benzenesulfonate
CID 58782438
(2-amino-3-chlorophenyl)-[3-(3-methylsulfonylphenoxy)phenyl]methanone
CID 68670033
4-[3-(2,5-dichlorobenzoyl)phenyl]-1,1,2,2,3,3,4,4-octafluorobutane-1-sulfonic acid
CID 23539912

Frequently Asked Questions

What is the IUPAC name of (2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanone?
The IUPAC name of (2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanone (CID 43344607) is (2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanone.
What is the SMILES notation for (2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanone?
The canonical SMILES for (2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanone is CS(=O)(=O)c1cccc(C(=O)c2cc(Cl)ccc2Cl)c1.
What is the InChIKey of (2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanone?
The InChIKey is ZFTJFRDRTNLAFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2O3S/c1-20(18,19)11-4-2-3-9(7-11)14(17)12-8-10(15)5-6-13(12)16/h2-8H,1H3.
What are the key properties of (2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanone?
(2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanone has a molecular weight of 329.20 g/mol, XLogP of 3.63, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,5-dichlorophenyl)-(3-methylsulfonylphenyl)methanone is sourced from PubChem (CID 43344607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).