N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methylbenzenesulfonamide

C12H13FN2O4S — CID 138467502

IUPACN-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCC(=O)NC1=O)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H13FN2O4S/c1-15(10-5-6-11(16)14-12(10)17)20(18,19)9-4-2-3-8(13)7-9/h2-4,7,10H,5-6H2,1H3,(H,14,16,17)
InChIKeyMPRRVBVYKWFZBG-UHFFFAOYSA-N
MW300.31 g/mol
LogP0.25
Rot. Bonds3

About N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methylbenzenesulfonamide

N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methylbenzenesulfonamide (PubChem CID 138467502) has the molecular formula C12H13FN2O4S and a molecular weight of 300.31 g/mol. Its IUPAC name is N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methylbenzenesulfonamide.

Molecular Properties

Compound NameN-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methylbenzenesulfonamide
PubChem CID138467502
Molecular FormulaC12H13FN2O4S
Molecular Weight300.31 g/mol
Exact Mass300.06
IUPAC NameN-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methylbenzenesulfonamide
SMILESCN(C1CCC(=O)NC1=O)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H13FN2O4S/c1-15(10-5-6-11(16)14-12(10)17)20(18,19)9-4-2-3-8(13)7-9/h2-4,7,10H,5-6H2,1H3,(H,14,16,17)
InChIKeyMPRRVBVYKWFZBG-UHFFFAOYSA-N
XLogP0.25
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.31
LogP ≤ 50.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phthalimide', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 2985558
1-(4-Fluorobenzenesulfonyl)-N-(3-methylbutyl)piperidine-2-carboxamide
CID 6619133
2-[cyclohexyl-(4-fluorophenyl)sulfonylamino]-N-methylacetamide
CID 799512
1-{2-[Cyclohexyl-(4-fluoro-benzenesulfonyl)-amino]-acetyl}-piperidine-4-carboxylic acid amide
CID 1072980
Cambridge id 6458207
CID 2284358
N-cyclopentyl-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]acetamide
CID 6465065
N-(butan-2-yl)-1-[(4-fluorophenyl)sulfonyl]piperidine-2-carboxamide
CID 6619154
1-(4-Fluoro-benzenesulfonyl)-pyrrolidine-2-carboxylic acid cyclohexylamide
CID 3219574
N-(3-ethoxypropyl)-1-[(4-fluorophenyl)sulfonyl]piperidine-2-carboxamide
CID 3238704
1-[(4-fluorophenyl)sulfonyl]-N-(3-methoxypropyl)piperidine-2-carboxamide
CID 3240828
N-(2-acetamidoethyl)-1-(benzenesulfonyl)piperidine-2-carboxamide
CID 4885523
1-[(4-fluorophenyl)sulfonyl]-N-[(2S)-3-methyl-1-oxo-1-(pyrrolidin-1-yl)butan-2-yl]piperidine-4-carboxamide
CID 17585216

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methylbenzenesulfonamide?
The IUPAC name of N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methylbenzenesulfonamide (CID 138467502) is N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methylbenzenesulfonamide.
What is the SMILES notation for N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methylbenzenesulfonamide?
The canonical SMILES for N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methylbenzenesulfonamide is CN(C1CCC(=O)NC1=O)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methylbenzenesulfonamide?
The InChIKey is MPRRVBVYKWFZBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13FN2O4S/c1-15(10-5-6-11(16)14-12(10)17)20(18,19)9-4-2-3-8(13)7-9/h2-4,7,10H,5-6H2,1H3,(H,14,16,17).
What are the key properties of N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methylbenzenesulfonamide?
N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methylbenzenesulfonamide has a molecular weight of 300.31 g/mol, XLogP of 0.25, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dioxopiperidin-3-yl)-3-fluoro-N-methylbenzenesulfonamide is sourced from PubChem (CID 138467502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).