4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)benzenesulfonamide

C12H16N2O3S — CID 163544400

IUPAC4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCC1(C)CCN(c2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C12H16N2O3S/c1-12(2)7-8-14(11(12)15)9-3-5-10(6-4-9)18(13,16)17/h3-6H,7-8H2,1-2H3,(H2,13,16,17)
InChIKeyFDUFHDKOZTZPEG-UHFFFAOYSA-N
MW268.34 g/mol
LogP1.10
Rot. Bonds2

About 4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)benzenesulfonamide

4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)benzenesulfonamide (PubChem CID 163544400) has the molecular formula C12H16N2O3S and a molecular weight of 268.34 g/mol. Its IUPAC name is 4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)benzenesulfonamide
PubChem CID163544400
Molecular FormulaC12H16N2O3S
Molecular Weight268.34 g/mol
Exact Mass268.09
IUPAC Name4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)benzenesulfonamide
SMILESCC1(C)CCN(c2ccc(S(N)(=O)=O)cc2)C1=O
InChIInChI=1S/C12H16N2O3S/c1-12(2)7-8-14(11(12)15)9-3-5-10(6-4-9)18(13,16)17/h3-6H,7-8H2,1-2H3,(H2,13,16,17)
InChIKeyFDUFHDKOZTZPEG-UHFFFAOYSA-N
XLogP1.10
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.34
LogP ≤ 51.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3,3-dimethyl-2-oxoazetidin-1-yl)benzenesulfonamide
CID 1488674
1-(4-benzoylphenyl)-3,3-dimethylpyrrolidin-2-one
CID 10334584
4-(5-oxo-2H-pyrrol-1-yl)benzenesulfonamide
CID 15535306
4-aminobenzenesulfonamide;fluoromethane
CID 159574204
4-thiomorpholin-4-ylbenzenesulfonamide
CID 146142612
4-[3-(2-chlorophenyl)-3-methyl-2,5-dioxopyrrolidin-1-yl]benzenesulfonamide
CID 3049671
ethyl (3S)-3-fluoro-2-oxo-1-phenylpyrrolidine-3-carboxylate
CID 86700962
1-[4-amino-1-[4-(phosphanylmethyl)phenyl]pyrazol-3-yl]-3,3-dimethylpyrrolidin-2-one
CID 171540643
4-[5-methyl-2-phenyl-5-(trifluoromethyl)-4H-imidazol-3-yl]benzenesulfonamide
CID 162579127
4-[(5S)-5-(aminomethyl)-2-oxo-1,3-oxazolidin-3-yl]benzenesulfonamide
CID 93181902
4-(1,3-dioxo-4,5,6,7-tetrahydroisoindol-2-yl)benzenesulfonamide
CID 134114210
4-[3-(2,2-dimethylpyrrolidin-1-yl)-3-oxopropyl]benzenesulfonamide
CID 63215148

Frequently Asked Questions

What is the IUPAC name of 4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)benzenesulfonamide?
The IUPAC name of 4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)benzenesulfonamide (CID 163544400) is 4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)benzenesulfonamide?
The canonical SMILES for 4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)benzenesulfonamide is CC1(C)CCN(c2ccc(S(N)(=O)=O)cc2)C1=O.
What is the InChIKey of 4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)benzenesulfonamide?
The InChIKey is FDUFHDKOZTZPEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3S/c1-12(2)7-8-14(11(12)15)9-3-5-10(6-4-9)18(13,16)17/h3-6H,7-8H2,1-2H3,(H2,13,16,17).
What are the key properties of 4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)benzenesulfonamide?
4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)benzenesulfonamide has a molecular weight of 268.34 g/mol, XLogP of 1.10, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3,3-dimethyl-2-oxopyrrolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 163544400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).