4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide

C11H14FN3O3S — CID 715059

IUPAC4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
SMILESO=C1NCCN1CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FN3O3S/c12-9-1-3-10(4-2-9)19(17,18)14-6-8-15-7-5-13-11(15)16/h1-4,14H,5-8H2,(H,13,16)
InChIKeyYAUXBUDXBLVLRB-UHFFFAOYSA-N
MW287.32 g/mol
LogP0.13
Rot. Bonds5

About 4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide

4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide (PubChem CID 715059) has the molecular formula C11H14FN3O3S and a molecular weight of 287.32 g/mol. Its IUPAC name is 4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
PubChem CID715059
Molecular FormulaC11H14FN3O3S
Molecular Weight287.32 g/mol
Exact Mass287.07
IUPAC Name4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide
SMILESO=C1NCCN1CCNS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C11H14FN3O3S/c12-9-1-3-10(4-2-9)19(17,18)14-6-8-15-7-5-13-11(15)16/h1-4,14H,5-8H2,(H,13,16)
InChIKeyYAUXBUDXBLVLRB-UHFFFAOYSA-N
XLogP0.13
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.32
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(4-(Phenylsulfonyl)piperazin-1-yl)(pyrrolidin-1-yl)methanone
CID 701243
4-fluoro-N-[2-oxo-2-(1-pyrrolidinyl)ethyl]benzenesulfonamide
CID 900413
4-methyl-N-[2-(2-oxo-1-imidazolidinyl)ethyl]benzenesulfonamide
CID 2810723
Urea, 1-isopropyl-3-(penylsulfonyl)-
CID 76606
3-chloro-4-fluoro-N-[2-(2-oxo-1-imidazolidinyl)ethyl]benzenesulfonamide
CID 2810871
3-Benzenesulfonyl-2-methyl-imidazolidine-1-carboxylic acid dimethylamide
CID 6498839
N,N-dimethyl-3-(phenylsulfonyl)-2-(propan-2-yl)imidazolidine-1-carboxamide
CID 6498843
N-allyl-2-{[(4-fluorophenyl)sulfonyl]amino}acetamide
CID 1797604
Diethyl-[2-[(2-fluorophenyl)sulfonylamino]ethyl]azanium
CID 2161438
N-cyclohexyl-4-[(4-fluorophenyl)sulfonyl]-1-piperazinecarboxamide
CID 6465555
N,N-diethyl-4-(4-fluorobenzenesulfonyl)piperazine-1-carboxamide
CID 973779
4-(4-fluorophenyl)sulfonyl-N,N-dimethylpiperazine-1-carboxamide
CID 1094978

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide?
The IUPAC name of 4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide (CID 715059) is 4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide is O=C1NCCN1CCNS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide?
The InChIKey is YAUXBUDXBLVLRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14FN3O3S/c12-9-1-3-10(4-2-9)19(17,18)14-6-8-15-7-5-13-11(15)16/h1-4,14H,5-8H2,(H,13,16).
What are the key properties of 4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide?
4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide has a molecular weight of 287.32 g/mol, XLogP of 0.13, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-[2-(2-oxoimidazolidin-1-yl)ethyl]benzenesulfonamide is sourced from PubChem (CID 715059), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).