N-[6-(2-fluorophenoxy)-7-(methanesulfonamido)-4-oxochromen-3-yl]formamide

C17H13FN2O6S — CID 10786685

IUPACN-[6-(2-fluorophenoxy)-7-(methanesulfonamido)-4-oxochromen-3-yl]formamide
SMILESCS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1F
InChIInChI=1S/C17H13FN2O6S/c1-27(23,24)20-12-7-15-10(17(22)13(8-25-15)19-9-21)6-16(12)26-14-5-3-2-4-11(14)18/h2-9,20H,1H3,(H,19,21)
InChIKeySYUDVYBKMPRJOU-UHFFFAOYSA-N
MW392.36 g/mol
LogP2.66
Rot. Bonds6

About N-[6-(2-fluorophenoxy)-7-(methanesulfonamido)-4-oxochromen-3-yl]formamide

N-[6-(2-fluorophenoxy)-7-(methanesulfonamido)-4-oxochromen-3-yl]formamide (PubChem CID 10786685) has the molecular formula C17H13FN2O6S and a molecular weight of 392.36 g/mol. Its IUPAC name is N-[6-(2-fluorophenoxy)-7-(methanesulfonamido)-4-oxochromen-3-yl]formamide.

Molecular Properties

Compound NameN-[6-(2-fluorophenoxy)-7-(methanesulfonamido)-4-oxochromen-3-yl]formamide
PubChem CID10786685
Molecular FormulaC17H13FN2O6S
Molecular Weight392.36 g/mol
Exact Mass392.05
IUPAC NameN-[6-(2-fluorophenoxy)-7-(methanesulfonamido)-4-oxochromen-3-yl]formamide
SMILESCS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1F
InChIInChI=1S/C17H13FN2O6S/c1-27(23,24)20-12-7-15-10(17(22)13(8-25-15)19-9-21)6-16(12)26-14-5-3-2-4-11(14)18/h2-9,20H,1H3,(H,19,21)
InChIKeySYUDVYBKMPRJOU-UHFFFAOYSA-N
XLogP2.66
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.36
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[6-(2-fluorophenoxy)-7-(methanesulfonamido)-4-oxochromen-3-yl]formamide?
The IUPAC name of N-[6-(2-fluorophenoxy)-7-(methanesulfonamido)-4-oxochromen-3-yl]formamide (CID 10786685) is N-[6-(2-fluorophenoxy)-7-(methanesulfonamido)-4-oxochromen-3-yl]formamide.
What is the SMILES notation for N-[6-(2-fluorophenoxy)-7-(methanesulfonamido)-4-oxochromen-3-yl]formamide?
The canonical SMILES for N-[6-(2-fluorophenoxy)-7-(methanesulfonamido)-4-oxochromen-3-yl]formamide is CS(=O)(=O)Nc1cc2occ(NC=O)c(=O)c2cc1Oc1ccccc1F.
What is the InChIKey of N-[6-(2-fluorophenoxy)-7-(methanesulfonamido)-4-oxochromen-3-yl]formamide?
The InChIKey is SYUDVYBKMPRJOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN2O6S/c1-27(23,24)20-12-7-15-10(17(22)13(8-25-15)19-9-21)6-16(12)26-14-5-3-2-4-11(14)18/h2-9,20H,1H3,(H,19,21).
What are the key properties of N-[6-(2-fluorophenoxy)-7-(methanesulfonamido)-4-oxochromen-3-yl]formamide?
N-[6-(2-fluorophenoxy)-7-(methanesulfonamido)-4-oxochromen-3-yl]formamide has a molecular weight of 392.36 g/mol, XLogP of 2.66, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(2-fluorophenoxy)-7-(methanesulfonamido)-4-oxochromen-3-yl]formamide is sourced from PubChem (CID 10786685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).