1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-sulfonamide

C15H18F2N2O3S — CID 154737138

IUPAC1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCN(C(=O)C2(c3ccc(F)cc3F)CCC2)C1
InChIInChI=1S/C15H18F2N2O3S/c16-10-2-3-12(13(17)8-10)15(5-1-6-15)14(20)19-7-4-11(9-19)23(18,21)22/h2-3,8,11H,1,4-7,9H2,(H2,18,21,22)
InChIKeyVLZHJVCNEYVTRX-UHFFFAOYSA-N
MW344.38 g/mol
LogP1.28
Rot. Bonds3

About 1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-sulfonamide

1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-sulfonamide (PubChem CID 154737138) has the molecular formula C15H18F2N2O3S and a molecular weight of 344.38 g/mol. Its IUPAC name is 1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-sulfonamide.

Molecular Properties

Compound Name1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-sulfonamide
PubChem CID154737138
Molecular FormulaC15H18F2N2O3S
Molecular Weight344.38 g/mol
Exact Mass344.10
IUPAC Name1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-sulfonamide
SMILESNS(=O)(=O)C1CCN(C(=O)C2(c3ccc(F)cc3F)CCC2)C1
InChIInChI=1S/C15H18F2N2O3S/c16-10-2-3-12(13(17)8-10)15(5-1-6-15)14(20)19-7-4-11(9-19)23(18,21)22/h2-3,8,11H,1,4-7,9H2,(H2,18,21,22)
InChIKeyVLZHJVCNEYVTRX-UHFFFAOYSA-N
XLogP1.28
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.38
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2,4-difluorophenyl)cyclopentanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120533926
[1-(2,4-difluorophenyl)cyclobutyl]-(3-piperazin-1-ylpyrrolidin-1-yl)methanone
CID 120995939
[1-(2-fluorophenyl)cyclopentyl]-(3-methylsulfonylpyrrolidin-1-yl)methanone
CID 146121846
(3R,4R)-4-cyclopropyl-1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-carboxylic acid
CID 120977966
1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]-3-methylpyrrolidine-3-carboxylic acid
CID 120529406
1-[1-(3-methylphenyl)cyclopropanecarbonyl]pyrrolidine-3-sulfonamide
CID 154736148
1-[1-(2-fluorophenyl)cyclobutanecarbonyl]piperidine-4-carboxamide
CID 110436587
1-[2-[[1-(2,4-difluorophenyl)cyclobutanecarbonyl]-methylamino]acetyl]piperidine-4-carboxylic acid
CID 120525600
[1-(2-fluorophenyl)cyclobutyl]-(4-methylpiperidin-1-yl)methanone
CID 110436577
1-[2-[[1-(2,4-difluorophenyl)cyclobutanecarbonyl]-methylamino]acetyl]piperidine-3-carboxylic acid
CID 120534326
4-[1-(4-fluorophenyl)cyclopentanecarbonyl]piperazine-1-sulfonamide
CID 51133844
[(3S)-3-(aminomethyl)piperidin-1-yl]-[1-(4-fluorophenyl)cyclopentyl]methanone
CID 97325169

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-sulfonamide?
The IUPAC name of 1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-sulfonamide (CID 154737138) is 1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-sulfonamide.
What is the SMILES notation for 1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-sulfonamide?
The canonical SMILES for 1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-sulfonamide is NS(=O)(=O)C1CCN(C(=O)C2(c3ccc(F)cc3F)CCC2)C1.
What is the InChIKey of 1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-sulfonamide?
The InChIKey is VLZHJVCNEYVTRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O3S/c16-10-2-3-12(13(17)8-10)15(5-1-6-15)14(20)19-7-4-11(9-19)23(18,21)22/h2-3,8,11H,1,4-7,9H2,(H2,18,21,22).
What are the key properties of 1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-sulfonamide?
1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-sulfonamide has a molecular weight of 344.38 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-difluorophenyl)cyclobutanecarbonyl]pyrrolidine-3-sulfonamide is sourced from PubChem (CID 154737138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).