N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide

C11H14FNO4S2 — CID 2892608

IUPACN-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO4S2/c1-13(10-6-7-18(14,15)8-10)19(16,17)11-4-2-9(12)3-5-11/h2-5,10H,6-8H2,1H3
InChIKeyFCKFMFZYTAEQMP-UHFFFAOYSA-N
MW307.37 g/mol
LogP0.63
Rot. Bonds3

About N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide

N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide (PubChem CID 2892608) has the molecular formula C11H14FNO4S2 and a molecular weight of 307.37 g/mol. Its IUPAC name is N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide
PubChem CID2892608
Molecular FormulaC11H14FNO4S2
Molecular Weight307.37 g/mol
Exact Mass307.03
IUPAC NameN-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FNO4S2/c1-13(10-6-7-18(14,15)8-10)19(16,17)11-4-2-9(12)3-5-11/h2-5,10H,6-8H2,1H3
InChIKeyFCKFMFZYTAEQMP-UHFFFAOYSA-N
XLogP0.63
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.37
LogP ≤ 50.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide (CID 2892608) is N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide is CN(C1CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide?
The InChIKey is FCKFMFZYTAEQMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FNO4S2/c1-13(10-6-7-18(14,15)8-10)19(16,17)11-4-2-9(12)3-5-11/h2-5,10H,6-8H2,1H3.
What are the key properties of N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide?
N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide has a molecular weight of 307.37 g/mol, XLogP of 0.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 2892608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).