1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-3-fluorobenzene

C14H10Cl2F2O2S — CID 588744

IUPAC1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-3-fluorobenzene
SMILESO=S(=O)(Cc1c(F)cccc1Cl)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H10Cl2F2O2S/c15-11-3-1-5-13(17)9(11)7-21(19,20)8-10-12(16)4-2-6-14(10)18/h1-6H,7-8H2
InChIKeyXYVHKJCNABMDIF-UHFFFAOYSA-N
MW351.20 g/mol
LogP4.39
Rot. Bonds4

About 1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-3-fluorobenzene

1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-3-fluorobenzene (PubChem CID 588744) has the molecular formula C14H10Cl2F2O2S and a molecular weight of 351.20 g/mol. Its IUPAC name is 1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-3-fluorobenzene.

Molecular Properties

Compound Name1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-3-fluorobenzene
PubChem CID588744
Molecular FormulaC14H10Cl2F2O2S
Molecular Weight351.20 g/mol
Exact Mass349.97
IUPAC Name1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-3-fluorobenzene
SMILESO=S(=O)(Cc1c(F)cccc1Cl)Cc1c(F)cccc1Cl
InChIInChI=1S/C14H10Cl2F2O2S/c15-11-3-1-5-13(17)9(11)7-21(19,20)8-10-12(16)4-2-6-14(10)18/h1-6H,7-8H2
InChIKeyXYVHKJCNABMDIF-UHFFFAOYSA-N
XLogP4.39
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.20
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-3-fluorobenzene?
The IUPAC name of 1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-3-fluorobenzene (CID 588744) is 1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-3-fluorobenzene.
What is the SMILES notation for 1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-3-fluorobenzene?
The canonical SMILES for 1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-3-fluorobenzene is O=S(=O)(Cc1c(F)cccc1Cl)Cc1c(F)cccc1Cl.
What is the InChIKey of 1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-3-fluorobenzene?
The InChIKey is XYVHKJCNABMDIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10Cl2F2O2S/c15-11-3-1-5-13(17)9(11)7-21(19,20)8-10-12(16)4-2-6-14(10)18/h1-6H,7-8H2.
What are the key properties of 1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-3-fluorobenzene?
1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-3-fluorobenzene has a molecular weight of 351.20 g/mol, XLogP of 4.39, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[(2-chloro-6-fluorophenyl)methylsulfonylmethyl]-3-fluorobenzene is sourced from PubChem (CID 588744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).