4-chloro-2-(4-fluorophenyl)sulfonyl-1-methoxybenzene

C13H10ClFO3S — CID 11449455

IUPAC4-chloro-2-(4-fluorophenyl)sulfonyl-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H10ClFO3S/c1-18-12-7-2-9(14)8-13(12)19(16,17)11-5-3-10(15)4-6-11/h2-8H,1H3
InChIKeyKRIZXGJFCIONHE-UHFFFAOYSA-N
MW300.74 g/mol
LogP3.32
Rot. Bonds3

About 4-chloro-2-(4-fluorophenyl)sulfonyl-1-methoxybenzene

4-chloro-2-(4-fluorophenyl)sulfonyl-1-methoxybenzene (PubChem CID 11449455) has the molecular formula C13H10ClFO3S and a molecular weight of 300.74 g/mol. Its IUPAC name is 4-chloro-2-(4-fluorophenyl)sulfonyl-1-methoxybenzene.

Molecular Properties

Compound Name4-chloro-2-(4-fluorophenyl)sulfonyl-1-methoxybenzene
PubChem CID11449455
Molecular FormulaC13H10ClFO3S
Molecular Weight300.74 g/mol
Exact Mass300.00
IUPAC Name4-chloro-2-(4-fluorophenyl)sulfonyl-1-methoxybenzene
SMILESCOc1ccc(Cl)cc1S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H10ClFO3S/c1-18-12-7-2-9(14)8-13(12)19(16,17)11-5-3-10(15)4-6-11/h2-8H,1H3
InChIKeyKRIZXGJFCIONHE-UHFFFAOYSA-N
XLogP3.32
TPSA43.37 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-(4-fluorophenyl)sulfonyl-1-methoxybenzene?
The IUPAC name of 4-chloro-2-(4-fluorophenyl)sulfonyl-1-methoxybenzene (CID 11449455) is 4-chloro-2-(4-fluorophenyl)sulfonyl-1-methoxybenzene.
What is the SMILES notation for 4-chloro-2-(4-fluorophenyl)sulfonyl-1-methoxybenzene?
The canonical SMILES for 4-chloro-2-(4-fluorophenyl)sulfonyl-1-methoxybenzene is COc1ccc(Cl)cc1S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-chloro-2-(4-fluorophenyl)sulfonyl-1-methoxybenzene?
The InChIKey is KRIZXGJFCIONHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClFO3S/c1-18-12-7-2-9(14)8-13(12)19(16,17)11-5-3-10(15)4-6-11/h2-8H,1H3.
What are the key properties of 4-chloro-2-(4-fluorophenyl)sulfonyl-1-methoxybenzene?
4-chloro-2-(4-fluorophenyl)sulfonyl-1-methoxybenzene has a molecular weight of 300.74 g/mol, XLogP of 3.32, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-(4-fluorophenyl)sulfonyl-1-methoxybenzene is sourced from PubChem (CID 11449455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).