1-(4-fluorophenyl)sulfonyl-3-(4-methyl-2-oxochromen-7-yl)urea

C17H13FN2O5S — CID 118719975

IUPAC1-(4-fluorophenyl)sulfonyl-3-(4-methyl-2-oxochromen-7-yl)urea
SMILESCc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccc(F)cc3)ccc12
InChIInChI=1S/C17H13FN2O5S/c1-10-8-16(21)25-15-9-12(4-7-14(10)15)19-17(22)20-26(23,24)13-5-2-11(18)3-6-13/h2-9H,1H3,(H2,19,20,22)
InChIKeyJDBAVTHSLBRRSD-UHFFFAOYSA-N
MW376.37 g/mol
LogP2.75
Rot. Bonds3

About 1-(4-fluorophenyl)sulfonyl-3-(4-methyl-2-oxochromen-7-yl)urea

1-(4-fluorophenyl)sulfonyl-3-(4-methyl-2-oxochromen-7-yl)urea (PubChem CID 118719975) has the molecular formula C17H13FN2O5S and a molecular weight of 376.37 g/mol. Its IUPAC name is 1-(4-fluorophenyl)sulfonyl-3-(4-methyl-2-oxochromen-7-yl)urea.

Molecular Properties

Compound Name1-(4-fluorophenyl)sulfonyl-3-(4-methyl-2-oxochromen-7-yl)urea
PubChem CID118719975
Molecular FormulaC17H13FN2O5S
Molecular Weight376.37 g/mol
Exact Mass376.05
IUPAC Name1-(4-fluorophenyl)sulfonyl-3-(4-methyl-2-oxochromen-7-yl)urea
SMILESCc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccc(F)cc3)ccc12
InChIInChI=1S/C17H13FN2O5S/c1-10-8-16(21)25-15-9-12(4-7-14(10)15)19-17(22)20-26(23,24)13-5-2-11(18)3-6-13/h2-9H,1H3,(H2,19,20,22)
InChIKeyJDBAVTHSLBRRSD-UHFFFAOYSA-N
XLogP2.75
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cumarine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(4-methyl-2-oxochromen-7-yl)urea?
The IUPAC name of 1-(4-fluorophenyl)sulfonyl-3-(4-methyl-2-oxochromen-7-yl)urea (CID 118719975) is 1-(4-fluorophenyl)sulfonyl-3-(4-methyl-2-oxochromen-7-yl)urea.
What is the SMILES notation for 1-(4-fluorophenyl)sulfonyl-3-(4-methyl-2-oxochromen-7-yl)urea?
The canonical SMILES for 1-(4-fluorophenyl)sulfonyl-3-(4-methyl-2-oxochromen-7-yl)urea is Cc1cc(=O)oc2cc(NC(=O)NS(=O)(=O)c3ccc(F)cc3)ccc12.
What is the InChIKey of 1-(4-fluorophenyl)sulfonyl-3-(4-methyl-2-oxochromen-7-yl)urea?
The InChIKey is JDBAVTHSLBRRSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O5S/c1-10-8-16(21)25-15-9-12(4-7-14(10)15)19-17(22)20-26(23,24)13-5-2-11(18)3-6-13/h2-9H,1H3,(H2,19,20,22).
What are the key properties of 1-(4-fluorophenyl)sulfonyl-3-(4-methyl-2-oxochromen-7-yl)urea?
1-(4-fluorophenyl)sulfonyl-3-(4-methyl-2-oxochromen-7-yl)urea has a molecular weight of 376.37 g/mol, XLogP of 2.75, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)sulfonyl-3-(4-methyl-2-oxochromen-7-yl)urea is sourced from PubChem (CID 118719975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).