4-[3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]-N'-hydroxypiperidine-1-carboximidamide

C17H24FN5O4S — CID 123265312

IUPAC4-[3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]-N'-hydroxypiperidine-1-carboximidamide
SMILESCS(=O)(=O)c1ccc(NC2CCN(C3CCN(C(N)=NO)CC3)C2=O)c(F)c1
InChIInChI=1S/C17H24FN5O4S/c1-28(26,27)12-2-3-14(13(18)10-12)20-15-6-9-23(16(15)24)11-4-7-22(8-5-11)17(19)21-25/h2-3,10-11,15,20,25H,4-9H2,1H3,(H2,19,21)
InChIKeyDLOKTLJCGONJFY-UHFFFAOYSA-N
MW413.48 g/mol
LogP0.41
Rot. Bonds4

About 4-[3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]-N'-hydroxypiperidine-1-carboximidamide

4-[3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]-N'-hydroxypiperidine-1-carboximidamide (PubChem CID 123265312) has the molecular formula C17H24FN5O4S and a molecular weight of 413.48 g/mol. Its IUPAC name is 4-[3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]-N'-hydroxypiperidine-1-carboximidamide.

Molecular Properties

Compound Name4-[3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]-N'-hydroxypiperidine-1-carboximidamide
PubChem CID123265312
Molecular FormulaC17H24FN5O4S
Molecular Weight413.48 g/mol
Exact Mass413.15
IUPAC Name4-[3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]-N'-hydroxypiperidine-1-carboximidamide
SMILESCS(=O)(=O)c1ccc(NC2CCN(C3CCN(C(N)=NO)CC3)C2=O)c(F)c1
InChIInChI=1S/C17H24FN5O4S/c1-28(26,27)12-2-3-14(13(18)10-12)20-15-6-9-23(16(15)24)11-4-7-22(8-5-11)17(19)21-25/h2-3,10-11,15,20,25H,4-9H2,1H3,(H2,19,21)
InChIKeyDLOKTLJCGONJFY-UHFFFAOYSA-N
XLogP0.41
TPSA128.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 50.41
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]-N'-hydroxypiperidine-1-carboximidamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(2-fluoro-4-methylsulfonylanilino)-1-piperidin-4-ylpyrrolidin-2-one
CID 67469697
3-(2-fluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)-2-pyridinyl]piperidin-4-yl]pyrrolidin-2-one
CID 77426684
1-[1-[3-chloro-5-(hydroxymethyl)-2-pyridinyl]piperidin-4-yl]-3-(2-fluoro-4-methylsulfonylanilino)pyrrolidin-2-one
CID 67469940
(3S)-3-(2-fluoro-4-methylsulfonylanilino)-1-[1-(5-methylpyrimidin-2-yl)piperidin-4-yl]piperidin-2-one
CID 54670344
5-chloro-2-[4-[(3S)-3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]piperidin-1-yl]pyridine-3-carbonitrile
CID 54671180
3-(2-fluoro-4-methylsulfonylanilino)-1-[1-[5-(1H-pyrazol-4-yl)pyrimidin-2-yl]piperidin-4-yl]pyrrolidin-2-one
CID 67470544
5-chloro-6-[4-[(3S)-3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]piperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 54670712
(3S)-3-(2-fluoro-4-methylsulfonylanilino)-1-[1-[5-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]piperidin-2-one
CID 54670343
(3S)-1-[1-(3-tert-butyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]-3-(2-fluoro-4-methylsulfonylanilino)piperidin-2-one
CID 71557642
4-[(3S)-3-(2,5-difluoro-4-methylsulfonylphenoxy)-2-oxopiperidin-1-yl]-N'-hydroxypiperidine-1-carboximidamide
CID 87158947
(3S)-1-[1-(5-chloropyrimidin-2-yl)piperidin-4-yl]-3-(2,5-difluoro-4-methylsulfonylanilino)pyrrolidin-2-one
CID 54671365
1-[1-(3,5-dichloro-2-pyridinyl)piperidin-4-yl]-3-(2,6-difluoro-4-methylsulfonylanilino)pyrrolidin-2-one
CID 77426616

Frequently Asked Questions

What is the IUPAC name of 4-[3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]-N'-hydroxypiperidine-1-carboximidamide?
The IUPAC name of 4-[3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]-N'-hydroxypiperidine-1-carboximidamide (CID 123265312) is 4-[3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]-N'-hydroxypiperidine-1-carboximidamide.
What is the SMILES notation for 4-[3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]-N'-hydroxypiperidine-1-carboximidamide?
The canonical SMILES for 4-[3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]-N'-hydroxypiperidine-1-carboximidamide is CS(=O)(=O)c1ccc(NC2CCN(C3CCN(C(N)=NO)CC3)C2=O)c(F)c1.
What is the InChIKey of 4-[3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]-N'-hydroxypiperidine-1-carboximidamide?
The InChIKey is DLOKTLJCGONJFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24FN5O4S/c1-28(26,27)12-2-3-14(13(18)10-12)20-15-6-9-23(16(15)24)11-4-7-22(8-5-11)17(19)21-25/h2-3,10-11,15,20,25H,4-9H2,1H3,(H2,19,21).
What are the key properties of 4-[3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]-N'-hydroxypiperidine-1-carboximidamide?
4-[3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]-N'-hydroxypiperidine-1-carboximidamide has a molecular weight of 413.48 g/mol, XLogP of 0.41, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluoro-4-methylsulfonylanilino)-2-oxopyrrolidin-1-yl]-N'-hydroxypiperidine-1-carboximidamide is sourced from PubChem (CID 123265312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).