4-tert-butyl-1-(2-fluorophenyl)sulfonylpyrrolidin-2-one

C14H18FNO3S — CID 104511781

IUPAC4-tert-butyl-1-(2-fluorophenyl)sulfonylpyrrolidin-2-one
SMILESCC(C)(C)C1CC(=O)N(S(=O)(=O)c2ccccc2F)C1
InChIInChI=1S/C14H18FNO3S/c1-14(2,3)10-8-13(17)16(9-10)20(18,19)12-7-5-4-6-11(12)15/h4-7,10H,8-9H2,1-3H3
InChIKeySPINVEHFRJSJGL-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.41
Rot. Bonds2

About 4-tert-butyl-1-(2-fluorophenyl)sulfonylpyrrolidin-2-one

4-tert-butyl-1-(2-fluorophenyl)sulfonylpyrrolidin-2-one (PubChem CID 104511781) has the molecular formula C14H18FNO3S and a molecular weight of 299.37 g/mol. Its IUPAC name is 4-tert-butyl-1-(2-fluorophenyl)sulfonylpyrrolidin-2-one.

Molecular Properties

Compound Name4-tert-butyl-1-(2-fluorophenyl)sulfonylpyrrolidin-2-one
PubChem CID104511781
Molecular FormulaC14H18FNO3S
Molecular Weight299.37 g/mol
Exact Mass299.10
IUPAC Name4-tert-butyl-1-(2-fluorophenyl)sulfonylpyrrolidin-2-one
SMILESCC(C)(C)C1CC(=O)N(S(=O)(=O)c2ccccc2F)C1
InChIInChI=1S/C14H18FNO3S/c1-14(2,3)10-8-13(17)16(9-10)20(18,19)12-7-5-4-6-11(12)15/h4-7,10H,8-9H2,1-3H3
InChIKeySPINVEHFRJSJGL-UHFFFAOYSA-N
XLogP2.41
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-(5-bromo-2-methylthiophen-3-yl)sulfonyl-4-tert-butylpyrrolidin-2-one
CID 104512397
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CID 104512277
1-(2-fluorophenyl)sulfonyl-3-(methoxymethyl)pyrrolidine
CID 64570512
(4aS,8aS)-2-(2-fluorophenyl)sulfonyl-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinoline
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N,N-diethyl-1-(2-fluorophenyl)sulfonylpyrrolidin-3-amine
CID 63169136
1-(2,6-dimethylphenyl)-4-(2-fluorophenyl)sulfonylpiperazine
CID 5012297
3-[(3R)-1-(2-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,3-thiazolidine-2,4-dione
CID 99991867
[1-(2-fluorophenyl)sulfonyl-4-methylpiperidin-3-yl]methanamine
CID 114960772
2-[1-(2-fluorophenyl)sulfonylpiperidin-4-yl]-N-methylethanamine;hydrochloride
CID 120718290
1-(2-fluorophenyl)sulfonyl-3-pyrrolidin-1-ylpiperidine
CID 61046286
1-(2-fluorophenyl)sulfonyl-4-pyrrolidin-1-ylpiperidine
CID 51892276
3-tert-butyl-1-(2-methylphenyl)sulfonylpyrrolidine
CID 113415005

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-(2-fluorophenyl)sulfonylpyrrolidin-2-one?
The IUPAC name of 4-tert-butyl-1-(2-fluorophenyl)sulfonylpyrrolidin-2-one (CID 104511781) is 4-tert-butyl-1-(2-fluorophenyl)sulfonylpyrrolidin-2-one.
What is the SMILES notation for 4-tert-butyl-1-(2-fluorophenyl)sulfonylpyrrolidin-2-one?
The canonical SMILES for 4-tert-butyl-1-(2-fluorophenyl)sulfonylpyrrolidin-2-one is CC(C)(C)C1CC(=O)N(S(=O)(=O)c2ccccc2F)C1.
What is the InChIKey of 4-tert-butyl-1-(2-fluorophenyl)sulfonylpyrrolidin-2-one?
The InChIKey is SPINVEHFRJSJGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18FNO3S/c1-14(2,3)10-8-13(17)16(9-10)20(18,19)12-7-5-4-6-11(12)15/h4-7,10H,8-9H2,1-3H3.
What are the key properties of 4-tert-butyl-1-(2-fluorophenyl)sulfonylpyrrolidin-2-one?
4-tert-butyl-1-(2-fluorophenyl)sulfonylpyrrolidin-2-one has a molecular weight of 299.37 g/mol, XLogP of 2.41, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-(2-fluorophenyl)sulfonylpyrrolidin-2-one is sourced from PubChem (CID 104511781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).