3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide

C16H18ClFN4O5S — CID 121160283

IUPAC3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)N1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C16H18ClFN4O5S/c17-12-7-11(1-2-13(12)18)28(26,27)20-9-14(23)21-5-3-10(4-6-21)22-15(24)8-19-16(22)25/h1-2,7,10,20H,3-6,8-9H2,(H,19,25)
InChIKeyFGVIEHZUYSNQCV-UHFFFAOYSA-N
MW432.86 g/mol
LogP0.30
Rot. Bonds5

About 3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide

3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide (PubChem CID 121160283) has the molecular formula C16H18ClFN4O5S and a molecular weight of 432.86 g/mol. Its IUPAC name is 3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide
PubChem CID121160283
Molecular FormulaC16H18ClFN4O5S
Molecular Weight432.86 g/mol
Exact Mass432.07
IUPAC Name3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide
SMILESO=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)N1CCC(N2C(=O)CNC2=O)CC1
InChIInChI=1S/C16H18ClFN4O5S/c17-12-7-11(1-2-13(12)18)28(26,27)20-9-14(23)21-5-3-10(4-6-21)22-15(24)8-19-16(22)25/h1-2,7,10,20H,3-6,8-9H2,(H,19,25)
InChIKeyFGVIEHZUYSNQCV-UHFFFAOYSA-N
XLogP0.30
TPSA115.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.86
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 121160272
3-chloro-4-fluoro-N-[2-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 90590085
3-chloro-N-[2-[3-(2,4-dioxo-1,3-thiazolidin-3-yl)azetidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 121155106
1-[1-[2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetyl]azetidin-3-yl]piperidine-4-carboxamide
CID 121153899
3-chloro-4-fluoro-N-[2-[4-(2-methyl-6-oxopyran-4-yl)oxypiperidin-1-yl]-2-oxoethyl]benzenesulfonamide
CID 90629021
3-chloro-N-[2-(3-cyclohexylsulfonylazetidin-1-yl)-2-oxoethyl]-4-fluorobenzenesulfonamide
CID 90593801
3,4-dichloro-N-(2-oxo-2-piperazin-1-ylethyl)benzenesulfonamide
CID 60894571
2-[(3-chloro-4-fluorophenyl)sulfonylamino]acetic acid
CID 697755
3-chloro-4-fluoro-N-[3-[4-(2-methylpropylsulfonyl)piperidin-1-yl]-3-oxopropyl]benzenesulfonamide
CID 90590086
3-[1-[2-(2-chloro-6-fluorophenyl)acetyl]pyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121159909
N-[3-[4-(benzenesulfonyl)piperidin-1-yl]-3-oxopropyl]-3-chloro-4-fluorobenzenesulfonamide
CID 90589237
N-[2-(4-acetylpiperazin-1-yl)-2-oxoethyl]-3,4-dichlorobenzenesulfonamide
CID 112991971

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide?
The IUPAC name of 3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide (CID 121160283) is 3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide.
What is the SMILES notation for 3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide?
The canonical SMILES for 3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide is O=C(CNS(=O)(=O)c1ccc(F)c(Cl)c1)N1CCC(N2C(=O)CNC2=O)CC1.
What is the InChIKey of 3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide?
The InChIKey is FGVIEHZUYSNQCV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClFN4O5S/c17-12-7-11(1-2-13(12)18)28(26,27)20-9-14(23)21-5-3-10(4-6-21)22-15(24)8-19-16(22)25/h1-2,7,10,20H,3-6,8-9H2,(H,19,25).
What are the key properties of 3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide?
3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide has a molecular weight of 432.86 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[2-[4-(2,5-dioxoimidazolidin-1-yl)piperidin-1-yl]-2-oxoethyl]-4-fluorobenzenesulfonamide is sourced from PubChem (CID 121160283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).