4-fluoro-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide

C12H16FNO4S2 — CID 2984485

IUPAC4-fluoro-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide
SMILESCN(C1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO4S2/c1-12(7-8-19(15,16)9-12)14(2)20(17,18)11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3
InChIKeyKWMSHDFSZKICBU-UHFFFAOYSA-N
MW321.39 g/mol
LogP1.02
Rot. Bonds3

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

4-fluoro-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide (PubChem CID 2984485) has the molecular formula C12H16FNO4S2 and a molecular weight of 321.39 g/mol. Its IUPAC name is 4-fluoro-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide
PubChem CID2984485
Molecular FormulaC12H16FNO4S2
Molecular Weight321.39 g/mol
Exact Mass321.05
IUPAC Name4-fluoro-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide
SMILESCN(C1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C12H16FNO4S2/c1-12(7-8-19(15,16)9-12)14(2)20(17,18)11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3
InChIKeyKWMSHDFSZKICBU-UHFFFAOYSA-N
XLogP1.02
TPSA71.52 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.39
LogP ≤ 51.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[Methyl(phenylsulfonyl)amino]thiolane-1,1-dione
CID 3152342
N,2,5-trimethyl-N-(3-methyl-1,1-dioxo-1lambda6-thiolan-3-yl)benzene-1-sulfonamide
CID 16268974
N-(1,1-dioxothiolan-3-yl)-4-fluoro-N-propylbenzenesulfonamide
CID 18083639
N,4-dimethyl-N-(3-methyl-1,1-dioxidotetrahydro-3-thienyl)benzenesulfonamide
CID 2963570
4-isopropyl-N-methyl-N-(3-methyl-1,1-dioxidotetrahydrothiophen-3-yl)benzenesulfonamide
CID 18573643
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethylbenzenesulfonamide
CID 18573649
2,4-difluoro-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide
CID 24420106
1-((4-Fluoro-3-methylphenyl)sulfonyl)-3-(methylsulfonyl)pyrrolidine
CID 71805537
1-((3,4-Difluorophenyl)sulfonyl)-3-(methylsulfonyl)pyrrolidine
CID 71805541
1-Ethylsulfonyl-3-(phenylsulfanylmethyl)pyrrolidine
CID 71997177
N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-ethyl-4-methylbenzenesulfonamide
CID 4921171
sec-butyl{(3S,4R)-4-[(4-fluorophenyl)sulfonyl]-1,1-dioxidotetrahydro-3-thienyl}amine
CID 20897860

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide?
The IUPAC name of 4-fluoro-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide (CID 2984485) is 4-fluoro-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide is CN(C1(C)CCS(=O)(=O)C1)S(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide?
The InChIKey is KWMSHDFSZKICBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16FNO4S2/c1-12(7-8-19(15,16)9-12)14(2)20(17,18)11-5-3-10(13)4-6-11/h3-6H,7-9H2,1-2H3.
What are the key properties of 4-fluoro-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide?
4-fluoro-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide has a molecular weight of 321.39 g/mol, XLogP of 1.02, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-N-(3-methyl-1,1-dioxothiolan-3-yl)benzenesulfonamide is sourced from PubChem (CID 2984485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).