5-(3,4-dichlorophenyl)sulfonyl-2-fluoro-1,3-dimethylbenzene

C14H11Cl2FO2S — CID 2804353

IUPAC5-(3,4-dichlorophenyl)sulfonyl-2-fluoro-1,3-dimethylbenzene
SMILESCc1cc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc(C)c1F
InChIInChI=1S/C14H11Cl2FO2S/c1-8-5-11(6-9(2)14(8)17)20(18,19)10-3-4-12(15)13(16)7-10/h3-7H,1-2H3
InChIKeyCDWRIQCEIXNODU-UHFFFAOYSA-N
MW333.21 g/mol
LogP4.58
Rot. Bonds2

About 5-(3,4-dichlorophenyl)sulfonyl-2-fluoro-1,3-dimethylbenzene

5-(3,4-dichlorophenyl)sulfonyl-2-fluoro-1,3-dimethylbenzene (PubChem CID 2804353) has the molecular formula C14H11Cl2FO2S and a molecular weight of 333.21 g/mol. Its IUPAC name is 5-(3,4-dichlorophenyl)sulfonyl-2-fluoro-1,3-dimethylbenzene.

Molecular Properties

Compound Name5-(3,4-dichlorophenyl)sulfonyl-2-fluoro-1,3-dimethylbenzene
PubChem CID2804353
Molecular FormulaC14H11Cl2FO2S
Molecular Weight333.21 g/mol
Exact Mass331.98
IUPAC Name5-(3,4-dichlorophenyl)sulfonyl-2-fluoro-1,3-dimethylbenzene
SMILESCc1cc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc(C)c1F
InChIInChI=1S/C14H11Cl2FO2S/c1-8-5-11(6-9(2)14(8)17)20(18,19)10-3-4-12(15)13(16)7-10/h3-7H,1-2H3
InChIKeyCDWRIQCEIXNODU-UHFFFAOYSA-N
XLogP4.58
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.21
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(3,4-dichlorophenyl)sulfonyl-2-fluoro-1,3-dimethylbenzene?
The IUPAC name of 5-(3,4-dichlorophenyl)sulfonyl-2-fluoro-1,3-dimethylbenzene (CID 2804353) is 5-(3,4-dichlorophenyl)sulfonyl-2-fluoro-1,3-dimethylbenzene.
What is the SMILES notation for 5-(3,4-dichlorophenyl)sulfonyl-2-fluoro-1,3-dimethylbenzene?
The canonical SMILES for 5-(3,4-dichlorophenyl)sulfonyl-2-fluoro-1,3-dimethylbenzene is Cc1cc(S(=O)(=O)c2ccc(Cl)c(Cl)c2)cc(C)c1F.
What is the InChIKey of 5-(3,4-dichlorophenyl)sulfonyl-2-fluoro-1,3-dimethylbenzene?
The InChIKey is CDWRIQCEIXNODU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11Cl2FO2S/c1-8-5-11(6-9(2)14(8)17)20(18,19)10-3-4-12(15)13(16)7-10/h3-7H,1-2H3.
What are the key properties of 5-(3,4-dichlorophenyl)sulfonyl-2-fluoro-1,3-dimethylbenzene?
5-(3,4-dichlorophenyl)sulfonyl-2-fluoro-1,3-dimethylbenzene has a molecular weight of 333.21 g/mol, XLogP of 4.58, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,4-dichlorophenyl)sulfonyl-2-fluoro-1,3-dimethylbenzene is sourced from PubChem (CID 2804353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).