N-[3-amino-6-(3-fluorophenoxy)-4-oxochromen-7-yl]methanesulfonamide

C16H13FN2O5S — CID 10642518

IUPACN-[3-amino-6-(3-fluorophenoxy)-4-oxochromen-7-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2occ(N)c(=O)c2cc1Oc1cccc(F)c1
InChIInChI=1S/C16H13FN2O5S/c1-25(21,22)19-13-7-14-11(16(20)12(18)8-23-14)6-15(13)24-10-4-2-3-9(17)5-10/h2-8,19H,18H2,1H3
InChIKeyRETNJNFONNUYOU-UHFFFAOYSA-N
MW364.35 g/mol
LogP2.68
Rot. Bonds4

About N-[3-amino-6-(3-fluorophenoxy)-4-oxochromen-7-yl]methanesulfonamide

N-[3-amino-6-(3-fluorophenoxy)-4-oxochromen-7-yl]methanesulfonamide (PubChem CID 10642518) has the molecular formula C16H13FN2O5S and a molecular weight of 364.35 g/mol. Its IUPAC name is N-[3-amino-6-(3-fluorophenoxy)-4-oxochromen-7-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-amino-6-(3-fluorophenoxy)-4-oxochromen-7-yl]methanesulfonamide
PubChem CID10642518
Molecular FormulaC16H13FN2O5S
Molecular Weight364.35 g/mol
Exact Mass364.05
IUPAC NameN-[3-amino-6-(3-fluorophenoxy)-4-oxochromen-7-yl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cc2occ(N)c(=O)c2cc1Oc1cccc(F)c1
InChIInChI=1S/C16H13FN2O5S/c1-25(21,22)19-13-7-14-11(16(20)12(18)8-23-14)6-15(13)24-10-4-2-3-9(17)5-10/h2-8,19H,18H2,1H3
InChIKeyRETNJNFONNUYOU-UHFFFAOYSA-N
XLogP2.68
TPSA111.63 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.35
LogP ≤ 52.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[3-amino-6-(3-fluorophenoxy)-4-oxochromen-7-yl]methanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[3-amino-6-(3-fluorophenoxy)-4-oxochromen-7-yl]methanesulfonamide?
The IUPAC name of N-[3-amino-6-(3-fluorophenoxy)-4-oxochromen-7-yl]methanesulfonamide (CID 10642518) is N-[3-amino-6-(3-fluorophenoxy)-4-oxochromen-7-yl]methanesulfonamide.
What is the SMILES notation for N-[3-amino-6-(3-fluorophenoxy)-4-oxochromen-7-yl]methanesulfonamide?
The canonical SMILES for N-[3-amino-6-(3-fluorophenoxy)-4-oxochromen-7-yl]methanesulfonamide is CS(=O)(=O)Nc1cc2occ(N)c(=O)c2cc1Oc1cccc(F)c1.
What is the InChIKey of N-[3-amino-6-(3-fluorophenoxy)-4-oxochromen-7-yl]methanesulfonamide?
The InChIKey is RETNJNFONNUYOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O5S/c1-25(21,22)19-13-7-14-11(16(20)12(18)8-23-14)6-15(13)24-10-4-2-3-9(17)5-10/h2-8,19H,18H2,1H3.
What are the key properties of N-[3-amino-6-(3-fluorophenoxy)-4-oxochromen-7-yl]methanesulfonamide?
N-[3-amino-6-(3-fluorophenoxy)-4-oxochromen-7-yl]methanesulfonamide has a molecular weight of 364.35 g/mol, XLogP of 2.68, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-amino-6-(3-fluorophenoxy)-4-oxochromen-7-yl]methanesulfonamide is sourced from PubChem (CID 10642518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).