N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide

C10H12FNO4S2 — CID 2810892

IUPACN-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide
SMILESO=S1(=O)CCC(NS(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C10H12FNO4S2/c11-8-1-3-10(4-2-8)18(15,16)12-9-5-6-17(13,14)7-9/h1-4,9,12H,5-7H2
InChIKeyXMAKFKYBMVQGOY-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.29
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide

N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide (PubChem CID 2810892) has the molecular formula C10H12FNO4S2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide
PubChem CID2810892
Molecular FormulaC10H12FNO4S2
Molecular Weight293.34 g/mol
Exact Mass293.02
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide
SMILESO=S1(=O)CCC(NS(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C10H12FNO4S2/c11-8-1-3-10(4-2-8)18(15,16)12-9-5-6-17(13,14)7-9/h1-4,9,12H,5-7H2
InChIKeyXMAKFKYBMVQGOY-UHFFFAOYSA-N
XLogP0.29
TPSA80.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.34
LogP ≤ 50.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide (CID 2810892) is N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide is O=S1(=O)CCC(NS(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide?
The InChIKey is XMAKFKYBMVQGOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4S2/c11-8-1-3-10(4-2-8)18(15,16)12-9-5-6-17(13,14)7-9/h1-4,9,12H,5-7H2.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide?
N-(1,1-dioxothiolan-3-yl)-4-fluorobenzenesulfonamide has a molecular weight of 293.34 g/mol, XLogP of 0.29, 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)-4-fluorobenzenesulfonamide is sourced from PubChem (CID 2810892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).