1-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]-3-phenylurea

C25H19FN4O4S — CID 58664901

IUPAC1-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)cn2)cc1
InChIInChI=1S/C25H19FN4O4S/c26-17-10-15-23(27-16-17)24(31)21-8-4-5-9-22(21)30-35(33,34)20-13-11-19(12-14-20)29-25(32)28-18-6-2-1-3-7-18/h1-16,30H,(H2,28,29,32)
InChIKeyAWDYLCCGFXAKDD-UHFFFAOYSA-N
MW490.52 g/mol
LogP4.90
Rot. Bonds7

About 1-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]-3-phenylurea

1-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]-3-phenylurea (PubChem CID 58664901) has the molecular formula C25H19FN4O4S and a molecular weight of 490.52 g/mol. Its IUPAC name is 1-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]-3-phenylurea.

Molecular Properties

Compound Name1-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]-3-phenylurea
PubChem CID58664901
Molecular FormulaC25H19FN4O4S
Molecular Weight490.52 g/mol
Exact Mass490.11
IUPAC Name1-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]-3-phenylurea
SMILESO=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)cn2)cc1
InChIInChI=1S/C25H19FN4O4S/c26-17-10-15-23(27-16-17)24(31)21-8-4-5-9-22(21)30-35(33,34)20-13-11-19(12-14-20)29-25(32)28-18-6-2-1-3-7-18/h1-16,30H,(H2,28,29,32)
InChIKeyAWDYLCCGFXAKDD-UHFFFAOYSA-N
XLogP4.90
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 54.90
H-Bond Donors ≤ 53
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 1-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]-3-phenylurea?
The IUPAC name of 1-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]-3-phenylurea (CID 58664901) is 1-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]-3-phenylurea.
What is the SMILES notation for 1-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]-3-phenylurea?
The canonical SMILES for 1-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]-3-phenylurea is O=C(Nc1ccccc1)Nc1ccc(S(=O)(=O)Nc2ccccc2C(=O)c2ccc(F)cn2)cc1.
What is the InChIKey of 1-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]-3-phenylurea?
The InChIKey is AWDYLCCGFXAKDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19FN4O4S/c26-17-10-15-23(27-16-17)24(31)21-8-4-5-9-22(21)30-35(33,34)20-13-11-19(12-14-20)29-25(32)28-18-6-2-1-3-7-18/h1-16,30H,(H2,28,29,32).
What are the key properties of 1-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]-3-phenylurea?
1-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]-3-phenylurea has a molecular weight of 490.52 g/mol, XLogP of 4.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[2-(5-fluoropyridine-2-carbonyl)phenyl]sulfamoyl]phenyl]-3-phenylurea is sourced from PubChem (CID 58664901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).