3-fluoro-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide

C15H14FN3O3S — CID 3041004

IUPAC3-fluoro-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CN(c3ccccc3)CC2=O)c(F)c1
InChIInChI=1S/C15H14FN3O3S/c16-13-8-12(23(17,21)22)6-7-14(13)19-10-18(9-15(19)20)11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,17,21,22)
InChIKeyKNRSNEGKENASLR-UHFFFAOYSA-N
MW335.36 g/mol
LogP1.28
Rot. Bonds3

About 3-fluoro-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide

3-fluoro-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide (PubChem CID 3041004) has the molecular formula C15H14FN3O3S and a molecular weight of 335.36 g/mol. Its IUPAC name is 3-fluoro-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide
PubChem CID3041004
Molecular FormulaC15H14FN3O3S
Molecular Weight335.36 g/mol
Exact Mass335.07
IUPAC Name3-fluoro-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(N2CN(c3ccccc3)CC2=O)c(F)c1
InChIInChI=1S/C15H14FN3O3S/c16-13-8-12(23(17,21)22)6-7-14(13)19-10-18(9-15(19)20)11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,17,21,22)
InChIKeyKNRSNEGKENASLR-UHFFFAOYSA-N
XLogP1.28
TPSA83.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.36
LogP ≤ 51.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-fluoro-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide?
The IUPAC name of 3-fluoro-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide (CID 3041004) is 3-fluoro-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for 3-fluoro-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide?
The canonical SMILES for 3-fluoro-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide is NS(=O)(=O)c1ccc(N2CN(c3ccccc3)CC2=O)c(F)c1.
What is the InChIKey of 3-fluoro-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide?
The InChIKey is KNRSNEGKENASLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14FN3O3S/c16-13-8-12(23(17,21)22)6-7-14(13)19-10-18(9-15(19)20)11-4-2-1-3-5-11/h1-8H,9-10H2,(H2,17,21,22).
What are the key properties of 3-fluoro-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide?
3-fluoro-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide has a molecular weight of 335.36 g/mol, XLogP of 1.28, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-4-(5-oxo-3-phenylimidazolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 3041004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).