2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one

C16H11F2NO5S — CID 7560383

IUPAC2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
SMILESO=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H11F2NO5S/c17-16(18)24-11-7-5-10(6-8-11)13(20)9-19-15(21)12-3-1-2-4-14(12)25(19,22)23/h1-8,16H,9H2
InChIKeyUEYVKXNQDFBUIP-UHFFFAOYSA-N
MW367.33 g/mol
LogP2.32
Rot. Bonds5

About 2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one

2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one (PubChem CID 7560383) has the molecular formula C16H11F2NO5S and a molecular weight of 367.33 g/mol. Its IUPAC name is 2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one.

Molecular Properties

Compound Name2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
PubChem CID7560383
Molecular FormulaC16H11F2NO5S
Molecular Weight367.33 g/mol
Exact Mass367.03
IUPAC Name2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one
SMILESO=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(OC(F)F)cc1
InChIInChI=1S/C16H11F2NO5S/c17-16(18)24-11-7-5-10(6-8-11)13(20)9-19-15(21)12-3-1-2-4-14(12)25(19,22)23/h1-8,16H,9H2
InChIKeyUEYVKXNQDFBUIP-UHFFFAOYSA-N
XLogP2.32
TPSA80.75 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.33
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The IUPAC name of 2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one (CID 7560383) is 2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one.
What is the SMILES notation for 2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The canonical SMILES for 2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one is O=C(CN1C(=O)c2ccccc2S1(=O)=O)c1ccc(OC(F)F)cc1.
What is the InChIKey of 2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
The InChIKey is UEYVKXNQDFBUIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11F2NO5S/c17-16(18)24-11-7-5-10(6-8-11)13(20)9-19-15(21)12-3-1-2-4-14(12)25(19,22)23/h1-8,16H,9H2.
What are the key properties of 2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one?
2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one has a molecular weight of 367.33 g/mol, XLogP of 2.32, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(difluoromethoxy)phenyl]-2-oxoethyl]-1,1-dioxo-1,2-benzothiazol-3-one is sourced from PubChem (CID 7560383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).