(3R)-N-(2,5-difluorophenyl)-1,1-dioxothiolane-3-carboxamide

C11H11F2NO3S — CID 51534986

IUPAC(3R)-N-(2,5-difluorophenyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H11F2NO3S/c12-8-1-2-9(13)10(5-8)14-11(15)7-3-4-18(16,17)6-7/h1-2,5,7H,3-4,6H2,(H,14,15)/t7-/m0/s1
InChIKeyUGPGOHLHQMFGTD-ZETCQYMHSA-N
MW275.28 g/mol
LogP1.34
Rot. Bonds2

About (3R)-N-(2,5-difluorophenyl)-1,1-dioxothiolane-3-carboxamide

(3R)-N-(2,5-difluorophenyl)-1,1-dioxothiolane-3-carboxamide (PubChem CID 51534986) has the molecular formula C11H11F2NO3S and a molecular weight of 275.28 g/mol. Its IUPAC name is (3R)-N-(2,5-difluorophenyl)-1,1-dioxothiolane-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-(2,5-difluorophenyl)-1,1-dioxothiolane-3-carboxamide
PubChem CID51534986
Molecular FormulaC11H11F2NO3S
Molecular Weight275.28 g/mol
Exact Mass275.04
IUPAC Name(3R)-N-(2,5-difluorophenyl)-1,1-dioxothiolane-3-carboxamide
SMILESO=C(Nc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1
InChIInChI=1S/C11H11F2NO3S/c12-8-1-2-9(13)10(5-8)14-11(15)7-3-4-18(16,17)6-7/h1-2,5,7H,3-4,6H2,(H,14,15)/t7-/m0/s1
InChIKeyUGPGOHLHQMFGTD-ZETCQYMHSA-N
XLogP1.34
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-(4-bromo-2-fluorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 51534988
N-(2-fluoro-4-sulfamoylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 63297241
N-(2,5-difluorophenyl)-4-(hydroxymethyl)cyclohexane-1-carboxamide
CID 115151145
(3R)-N-(3-fluoro-4-methylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 9081263
N-(2-amino-4-bromophenyl)-1,1-dioxothiolane-3-carboxamide
CID 64913377
N-(3-cyano-4-fluorophenyl)-1,1-dioxothiolane-3-carboxamide
CID 63184164
(3R)-N-(2-bromophenyl)-1,1-dioxothiolane-3-carboxamide
CID 94015109
3-amino-N-(2,5-difluorophenyl)cyclohexane-1-carboxamide
CID 55146164
N-[3-fluoro-4-(trifluoromethyl)phenyl]-1,1-dioxothiolane-3-carboxamide
CID 126832675
N-(5-chloro-2-piperidin-1-ylphenyl)-1,1-dioxothiolane-3-carboxamide
CID 16566635
N-(3-amino-4-pyridinyl)-1,1-dioxothiolane-3-carboxamide
CID 64913582
N-[2-(4-fluoroanilino)-2-oxoethyl]-1,1-dioxothiolane-3-carboxamide
CID 49165322

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(2,5-difluorophenyl)-1,1-dioxothiolane-3-carboxamide?
The IUPAC name of (3R)-N-(2,5-difluorophenyl)-1,1-dioxothiolane-3-carboxamide (CID 51534986) is (3R)-N-(2,5-difluorophenyl)-1,1-dioxothiolane-3-carboxamide.
What is the SMILES notation for (3R)-N-(2,5-difluorophenyl)-1,1-dioxothiolane-3-carboxamide?
The canonical SMILES for (3R)-N-(2,5-difluorophenyl)-1,1-dioxothiolane-3-carboxamide is O=C(Nc1cc(F)ccc1F)[C@H]1CCS(=O)(=O)C1.
What is the InChIKey of (3R)-N-(2,5-difluorophenyl)-1,1-dioxothiolane-3-carboxamide?
The InChIKey is UGPGOHLHQMFGTD-ZETCQYMHSA-N. The full InChI is InChI=1S/C11H11F2NO3S/c12-8-1-2-9(13)10(5-8)14-11(15)7-3-4-18(16,17)6-7/h1-2,5,7H,3-4,6H2,(H,14,15)/t7-/m0/s1.
What are the key properties of (3R)-N-(2,5-difluorophenyl)-1,1-dioxothiolane-3-carboxamide?
(3R)-N-(2,5-difluorophenyl)-1,1-dioxothiolane-3-carboxamide has a molecular weight of 275.28 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(2,5-difluorophenyl)-1,1-dioxothiolane-3-carboxamide is sourced from PubChem (CID 51534986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).