ethyl 2-(2,7-difluoro-9-sulfamoylfluoren-9-yl)acetate

C17H15F2NO4S — CID 14856507

IUPACethyl 2-(2,7-difluoro-9-sulfamoylfluoren-9-yl)acetate
SMILESCCOC(=O)CC1(S(N)(=O)=O)c2cc(F)ccc2-c2ccc(F)cc21
InChIInChI=1S/C17H15F2NO4S/c1-2-24-16(21)9-17(25(20,22)23)14-7-10(18)3-5-12(14)13-6-4-11(19)8-15(13)17/h3-8H,2,9H2,1H3,(H2,20,22,23)
InChIKeyJBLXSBMWXXPSQY-UHFFFAOYSA-N
MW367.37 g/mol
LogP2.43
Rot. Bonds4

About ethyl 2-(2,7-difluoro-9-sulfamoylfluoren-9-yl)acetate

ethyl 2-(2,7-difluoro-9-sulfamoylfluoren-9-yl)acetate (PubChem CID 14856507) has the molecular formula C17H15F2NO4S and a molecular weight of 367.37 g/mol. Its IUPAC name is ethyl 2-(2,7-difluoro-9-sulfamoylfluoren-9-yl)acetate.

Molecular Properties

Compound Nameethyl 2-(2,7-difluoro-9-sulfamoylfluoren-9-yl)acetate
PubChem CID14856507
Molecular FormulaC17H15F2NO4S
Molecular Weight367.37 g/mol
Exact Mass367.07
IUPAC Nameethyl 2-(2,7-difluoro-9-sulfamoylfluoren-9-yl)acetate
SMILESCCOC(=O)CC1(S(N)(=O)=O)c2cc(F)ccc2-c2ccc(F)cc21
InChIInChI=1S/C17H15F2NO4S/c1-2-24-16(21)9-17(25(20,22)23)14-7-10(18)3-5-12(14)13-6-4-11(19)8-15(13)17/h3-8H,2,9H2,1H3,(H2,20,22,23)
InChIKeyJBLXSBMWXXPSQY-UHFFFAOYSA-N
XLogP2.43
TPSA86.46 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.37
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2,7-difluoro-9-sulfamoylfluoren-9-yl)acetate?
The IUPAC name of ethyl 2-(2,7-difluoro-9-sulfamoylfluoren-9-yl)acetate (CID 14856507) is ethyl 2-(2,7-difluoro-9-sulfamoylfluoren-9-yl)acetate.
What is the SMILES notation for ethyl 2-(2,7-difluoro-9-sulfamoylfluoren-9-yl)acetate?
The canonical SMILES for ethyl 2-(2,7-difluoro-9-sulfamoylfluoren-9-yl)acetate is CCOC(=O)CC1(S(N)(=O)=O)c2cc(F)ccc2-c2ccc(F)cc21.
What is the InChIKey of ethyl 2-(2,7-difluoro-9-sulfamoylfluoren-9-yl)acetate?
The InChIKey is JBLXSBMWXXPSQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F2NO4S/c1-2-24-16(21)9-17(25(20,22)23)14-7-10(18)3-5-12(14)13-6-4-11(19)8-15(13)17/h3-8H,2,9H2,1H3,(H2,20,22,23).
What are the key properties of ethyl 2-(2,7-difluoro-9-sulfamoylfluoren-9-yl)acetate?
ethyl 2-(2,7-difluoro-9-sulfamoylfluoren-9-yl)acetate has a molecular weight of 367.37 g/mol, XLogP of 2.43, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,7-difluoro-9-sulfamoylfluoren-9-yl)acetate is sourced from PubChem (CID 14856507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).