N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]acetamide

C20H16FN3O4S — CID 24895184

IUPACN-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)cn2)cc1
InChIInChI=1S/C20H16FN3O4S/c1-13(25)23-15-7-9-16(10-8-15)29(27,28)24-18-5-3-2-4-17(18)20(26)19-11-6-14(21)12-22-19/h2-12,24H,1H3,(H,23,25)
InChIKeyKEQKLLYBHXLGAB-UHFFFAOYSA-N
MW413.43 g/mol
LogP3.21
Rot. Bonds6

About N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]acetamide

N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]acetamide (PubChem CID 24895184) has the molecular formula C20H16FN3O4S and a molecular weight of 413.43 g/mol. Its IUPAC name is N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]acetamide
PubChem CID24895184
Molecular FormulaC20H16FN3O4S
Molecular Weight413.43 g/mol
Exact Mass413.08
IUPAC NameN-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)cn2)cc1
InChIInChI=1S/C20H16FN3O4S/c1-13(25)23-15-7-9-16(10-8-15)29(27,28)24-18-5-3-2-4-17(18)20(26)19-11-6-14(21)12-22-19/h2-12,24H,1H3,(H,23,25)
InChIKeyKEQKLLYBHXLGAB-UHFFFAOYSA-N
XLogP3.21
TPSA105.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.43
LogP ≤ 53.21
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-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]acetamide (CID 24895184) is N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)cn2)cc1.
What is the InChIKey of N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]acetamide?
The InChIKey is KEQKLLYBHXLGAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16FN3O4S/c1-13(25)23-15-7-9-16(10-8-15)29(27,28)24-18-5-3-2-4-17(18)20(26)19-11-6-14(21)12-22-19/h2-12,24H,1H3,(H,23,25).
What are the key properties of N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]acetamide?
N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]acetamide has a molecular weight of 413.43 g/mol, XLogP of 3.21, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]acetamide is sourced from PubChem (CID 24895184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).