N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide

C21H17FN4O4S — CID 69308632

IUPACN-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESO=C(c1ccc(F)cn1)c1ccccc1NS(=O)(=O)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C21H17FN4O4S/c22-14-5-10-19(24-13-14)20(27)17-3-1-2-4-18(17)25-31(29,30)16-8-6-15(7-9-16)26-12-11-23-21(26)28/h1-10,13,25H,11-12H2,(H,23,28)
InChIKeyMPDVXQUGFCCZMJ-UHFFFAOYSA-N
MW440.46 g/mol
LogP2.78
Rot. Bonds6

About N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide

N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide (PubChem CID 69308632) has the molecular formula C21H17FN4O4S and a molecular weight of 440.46 g/mol. Its IUPAC name is N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
PubChem CID69308632
Molecular FormulaC21H17FN4O4S
Molecular Weight440.46 g/mol
Exact Mass440.10
IUPAC NameN-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide
SMILESO=C(c1ccc(F)cn1)c1ccccc1NS(=O)(=O)c1ccc(N2CCNC2=O)cc1
InChIInChI=1S/C21H17FN4O4S/c22-14-5-10-19(24-13-14)20(27)17-3-1-2-4-18(17)25-31(29,30)16-8-6-15(7-9-16)26-12-11-23-21(26)28/h1-10,13,25H,11-12H2,(H,23,28)
InChIKeyMPDVXQUGFCCZMJ-UHFFFAOYSA-N
XLogP2.78
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.46
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anthranil_one_A(38)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The IUPAC name of N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide (CID 69308632) is N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide.
What is the SMILES notation for N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The canonical SMILES for N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide is O=C(c1ccc(F)cn1)c1ccccc1NS(=O)(=O)c1ccc(N2CCNC2=O)cc1.
What is the InChIKey of N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
The InChIKey is MPDVXQUGFCCZMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN4O4S/c22-14-5-10-19(24-13-14)20(27)17-3-1-2-4-18(17)25-31(29,30)16-8-6-15(7-9-16)26-12-11-23-21(26)28/h1-10,13,25H,11-12H2,(H,23,28).
What are the key properties of N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide?
N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide has a molecular weight of 440.46 g/mol, XLogP of 2.78, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-fluoropyridine-2-carbonyl)phenyl]-4-(2-oxoimidazolidin-1-yl)benzenesulfonamide is sourced from PubChem (CID 69308632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).