N-(1,1-dioxothiolan-3-yl)-2,5-difluorobenzenesulfonamide

C10H11F2NO4S2 — CID 110757609

IUPACN-(1,1-dioxothiolan-3-yl)-2,5-difluorobenzenesulfonamide
SMILESO=S1(=O)CCC(NS(=O)(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C10H11F2NO4S2/c11-7-1-2-9(12)10(5-7)19(16,17)13-8-3-4-18(14,15)6-8/h1-2,5,8,13H,3-4,6H2
InChIKeyUNBIXYFNQHKAEL-UHFFFAOYSA-N
MW311.33 g/mol
LogP0.43
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-2,5-difluorobenzenesulfonamide

N-(1,1-dioxothiolan-3-yl)-2,5-difluorobenzenesulfonamide (PubChem CID 110757609) has the molecular formula C10H11F2NO4S2 and a molecular weight of 311.33 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-2,5-difluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-2,5-difluorobenzenesulfonamide
PubChem CID110757609
Molecular FormulaC10H11F2NO4S2
Molecular Weight311.33 g/mol
Exact Mass311.01
IUPAC NameN-(1,1-dioxothiolan-3-yl)-2,5-difluorobenzenesulfonamide
SMILESO=S1(=O)CCC(NS(=O)(=O)c2cc(F)ccc2F)C1
InChIInChI=1S/C10H11F2NO4S2/c11-7-1-2-9(12)10(5-7)19(16,17)13-8-3-4-18(14,15)6-8/h1-2,5,8,13H,3-4,6H2
InChIKeyUNBIXYFNQHKAEL-UHFFFAOYSA-N
XLogP0.43
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.33
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,1-dioxothiolan-3-yl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326575
N-(1,1-dioxothiolan-3-yl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 106059854
N-[4-(ethylamino)cyclohexyl]-2,5-difluorobenzenesulfonamide
CID 43653555
N-(1,1-dioxothiolan-3-yl)-4-fluoro-3-(methylaminomethyl)benzenesulfonamide
CID 106059838
N-[(1R)-1-(2,4-difluorophenyl)ethyl]-4-[[(3S)-1,1-dioxothiolan-3-yl]sulfamoyl]benzamide
CID 26001300
3-amino-N-(1,1-dioxothiolan-3-yl)-5-fluorobenzenesulfonamide
CID 63321949
2-amino-N-(1,1-dioxothiolan-3-yl)-4-methylbenzenesulfonamide
CID 43258077
2,5-difluoro-N-[(3R)-piperidin-3-yl]benzenesulfonamide;hydrochloride
CID 120723761
N-[(3S)-1,1-dioxothiolan-3-yl]benzenesulfonamide
CID 2407943
N-(1,1-dioxothiolan-3-yl)-2-hydrazinylbenzenesulfonamide
CID 43454796
N-[1-(2-aminoethyl)piperidin-4-yl]-2,5-difluorobenzenesulfonamide
CID 63632016
N-[(3S)-1,1-dioxo-2,3-dihydro-1-benzothiophen-3-yl]-2,5-difluorobenzenesulfonamide
CID 97083421

Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-2,5-difluorobenzenesulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-2,5-difluorobenzenesulfonamide (CID 110757609) is N-(1,1-dioxothiolan-3-yl)-2,5-difluorobenzenesulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-2,5-difluorobenzenesulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-2,5-difluorobenzenesulfonamide is O=S1(=O)CCC(NS(=O)(=O)c2cc(F)ccc2F)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-2,5-difluorobenzenesulfonamide?
The InChIKey is UNBIXYFNQHKAEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11F2NO4S2/c11-7-1-2-9(12)10(5-7)19(16,17)13-8-3-4-18(14,15)6-8/h1-2,5,8,13H,3-4,6H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-2,5-difluorobenzenesulfonamide?
N-(1,1-dioxothiolan-3-yl)-2,5-difluorobenzenesulfonamide has a molecular weight of 311.33 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-2,5-difluorobenzenesulfonamide is sourced from PubChem (CID 110757609), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).