1-chloro-2-[4-(2-fluoropropan-2-yl)phenyl]sulfonylbenzene

C15H14ClFO2S — CID 11565865

IUPAC1-chloro-2-[4-(2-fluoropropan-2-yl)phenyl]sulfonylbenzene
SMILESCC(C)(F)c1ccc(S(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H14ClFO2S/c1-15(2,17)11-7-9-12(10-8-11)20(18,19)14-6-4-3-5-13(14)16/h3-10H,1-2H3
InChIKeyXDNRTCGVMOFCBY-UHFFFAOYSA-N
MW312.79 g/mol
LogP4.38
Rot. Bonds3

About 1-chloro-2-[4-(2-fluoropropan-2-yl)phenyl]sulfonylbenzene

1-chloro-2-[4-(2-fluoropropan-2-yl)phenyl]sulfonylbenzene (PubChem CID 11565865) has the molecular formula C15H14ClFO2S and a molecular weight of 312.79 g/mol. Its IUPAC name is 1-chloro-2-[4-(2-fluoropropan-2-yl)phenyl]sulfonylbenzene.

Molecular Properties

Compound Name1-chloro-2-[4-(2-fluoropropan-2-yl)phenyl]sulfonylbenzene
PubChem CID11565865
Molecular FormulaC15H14ClFO2S
Molecular Weight312.79 g/mol
Exact Mass312.04
IUPAC Name1-chloro-2-[4-(2-fluoropropan-2-yl)phenyl]sulfonylbenzene
SMILESCC(C)(F)c1ccc(S(=O)(=O)c2ccccc2Cl)cc1
InChIInChI=1S/C15H14ClFO2S/c1-15(2,17)11-7-9-12(10-8-11)20(18,19)14-6-4-3-5-13(14)16/h3-10H,1-2H3
InChIKeyXDNRTCGVMOFCBY-UHFFFAOYSA-N
XLogP4.38
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.79
LogP ≤ 54.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-chloro-2-[4-(2-fluoropropan-2-yl)phenyl]sulfonylbenzene?
The IUPAC name of 1-chloro-2-[4-(2-fluoropropan-2-yl)phenyl]sulfonylbenzene (CID 11565865) is 1-chloro-2-[4-(2-fluoropropan-2-yl)phenyl]sulfonylbenzene.
What is the SMILES notation for 1-chloro-2-[4-(2-fluoropropan-2-yl)phenyl]sulfonylbenzene?
The canonical SMILES for 1-chloro-2-[4-(2-fluoropropan-2-yl)phenyl]sulfonylbenzene is CC(C)(F)c1ccc(S(=O)(=O)c2ccccc2Cl)cc1.
What is the InChIKey of 1-chloro-2-[4-(2-fluoropropan-2-yl)phenyl]sulfonylbenzene?
The InChIKey is XDNRTCGVMOFCBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClFO2S/c1-15(2,17)11-7-9-12(10-8-11)20(18,19)14-6-4-3-5-13(14)16/h3-10H,1-2H3.
What are the key properties of 1-chloro-2-[4-(2-fluoropropan-2-yl)phenyl]sulfonylbenzene?
1-chloro-2-[4-(2-fluoropropan-2-yl)phenyl]sulfonylbenzene has a molecular weight of 312.79 g/mol, XLogP of 4.38, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chloro-2-[4-(2-fluoropropan-2-yl)phenyl]sulfonylbenzene is sourced from PubChem (CID 11565865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).