N-(4-fluorophenyl)-1,1-dioxothiolane-3-sulfonamide

C10H12FNO4S2 — CID 16958012

IUPACN-(4-fluorophenyl)-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C10H12FNO4S2/c11-8-1-3-9(4-2-8)12-18(15,16)10-5-6-17(13,14)7-10/h1-4,10,12H,5-7H2
InChIKeyUJYLWOQNUFQFNQ-UHFFFAOYSA-N
MW293.34 g/mol
LogP0.75
Rot. Bonds3

About N-(4-fluorophenyl)-1,1-dioxothiolane-3-sulfonamide

N-(4-fluorophenyl)-1,1-dioxothiolane-3-sulfonamide (PubChem CID 16958012) has the molecular formula C10H12FNO4S2 and a molecular weight of 293.34 g/mol. Its IUPAC name is N-(4-fluorophenyl)-1,1-dioxothiolane-3-sulfonamide.

Molecular Properties

Compound NameN-(4-fluorophenyl)-1,1-dioxothiolane-3-sulfonamide
PubChem CID16958012
Molecular FormulaC10H12FNO4S2
Molecular Weight293.34 g/mol
Exact Mass293.02
IUPAC NameN-(4-fluorophenyl)-1,1-dioxothiolane-3-sulfonamide
SMILESO=S1(=O)CCC(S(=O)(=O)Nc2ccc(F)cc2)C1
InChIInChI=1S/C10H12FNO4S2/c11-8-1-3-9(4-2-8)12-18(15,16)10-5-6-17(13,14)7-10/h1-4,10,12H,5-7H2
InChIKeyUJYLWOQNUFQFNQ-UHFFFAOYSA-N
XLogP0.75
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 ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluorophenyl)-1,1-dioxothiolane-3-sulfonamide?
The IUPAC name of N-(4-fluorophenyl)-1,1-dioxothiolane-3-sulfonamide (CID 16958012) is N-(4-fluorophenyl)-1,1-dioxothiolane-3-sulfonamide.
What is the SMILES notation for N-(4-fluorophenyl)-1,1-dioxothiolane-3-sulfonamide?
The canonical SMILES for N-(4-fluorophenyl)-1,1-dioxothiolane-3-sulfonamide is O=S1(=O)CCC(S(=O)(=O)Nc2ccc(F)cc2)C1.
What is the InChIKey of N-(4-fluorophenyl)-1,1-dioxothiolane-3-sulfonamide?
The InChIKey is UJYLWOQNUFQFNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12FNO4S2/c11-8-1-3-9(4-2-8)12-18(15,16)10-5-6-17(13,14)7-10/h1-4,10,12H,5-7H2.
What are the key properties of N-(4-fluorophenyl)-1,1-dioxothiolane-3-sulfonamide?
N-(4-fluorophenyl)-1,1-dioxothiolane-3-sulfonamide has a molecular weight of 293.34 g/mol, XLogP of 0.75, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluorophenyl)-1,1-dioxothiolane-3-sulfonamide is sourced from PubChem (CID 16958012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).