1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2,2-difluoroethanone

C14H8Cl2F2O3S — CID 162413949

IUPAC1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2,2-difluoroethanone
SMILESO=C(c1ccc(Cl)cc1)C(F)(F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H8Cl2F2O3S/c15-10-3-1-9(2-4-10)13(19)14(17,18)22(20,21)12-7-5-11(16)6-8-12/h1-8H
InChIKeyOYPOTUNZGULFDP-UHFFFAOYSA-N
MW365.18 g/mol
LogP4.24
Rot. Bonds4

About 1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2,2-difluoroethanone

1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2,2-difluoroethanone (PubChem CID 162413949) has the molecular formula C14H8Cl2F2O3S and a molecular weight of 365.18 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2,2-difluoroethanone.

Molecular Properties

Compound Name1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2,2-difluoroethanone
PubChem CID162413949
Molecular FormulaC14H8Cl2F2O3S
Molecular Weight365.18 g/mol
Exact Mass363.95
IUPAC Name1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2,2-difluoroethanone
SMILESO=C(c1ccc(Cl)cc1)C(F)(F)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C14H8Cl2F2O3S/c15-10-3-1-9(2-4-10)13(19)14(17,18)22(20,21)12-7-5-11(16)6-8-12/h1-8H
InChIKeyOYPOTUNZGULFDP-UHFFFAOYSA-N
XLogP4.24
TPSA51.21 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.18
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

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2-(4-chlorobenzoyl)oxy-1,1-difluoroethanesulfonic acid
CID 129070682
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(4-chlorophenyl)-oxomethanesulfonic acid
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CID 130605207

Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2,2-difluoroethanone?
The IUPAC name of 1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2,2-difluoroethanone (CID 162413949) is 1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2,2-difluoroethanone.
What is the SMILES notation for 1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2,2-difluoroethanone?
The canonical SMILES for 1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2,2-difluoroethanone is O=C(c1ccc(Cl)cc1)C(F)(F)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2,2-difluoroethanone?
The InChIKey is OYPOTUNZGULFDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8Cl2F2O3S/c15-10-3-1-9(2-4-10)13(19)14(17,18)22(20,21)12-7-5-11(16)6-8-12/h1-8H.
What are the key properties of 1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2,2-difluoroethanone?
1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2,2-difluoroethanone has a molecular weight of 365.18 g/mol, XLogP of 4.24, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-2-(4-chlorophenyl)sulfonyl-2,2-difluoroethanone is sourced from PubChem (CID 162413949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).