5-fluoro-2-methoxy-N-[(7-methoxy-6-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide

C19H21FN2O6S — CID 18973598

IUPAC5-fluoro-2-methoxy-N-[(7-methoxy-6-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide
SMILESCOc1ccc(F)cc1C(=O)NCC1CCOc2cc(OC)c(S(N)(=O)=O)cc21
InChIInChI=1S/C19H21FN2O6S/c1-26-15-4-3-12(20)7-14(15)19(23)22-10-11-5-6-28-16-9-17(27-2)18(8-13(11)16)29(21,24)25/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,22,23)(H2,21,24,25)
InChIKeyRTTZHBASGMOAJM-UHFFFAOYSA-N
MW424.45 g/mol
LogP1.79
Rot. Bonds6

About 5-fluoro-2-methoxy-N-[(7-methoxy-6-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide

5-fluoro-2-methoxy-N-[(7-methoxy-6-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide (PubChem CID 18973598) has the molecular formula C19H21FN2O6S and a molecular weight of 424.45 g/mol. Its IUPAC name is 5-fluoro-2-methoxy-N-[(7-methoxy-6-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide.

Molecular Properties

Compound Name5-fluoro-2-methoxy-N-[(7-methoxy-6-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide
PubChem CID18973598
Molecular FormulaC19H21FN2O6S
Molecular Weight424.45 g/mol
Exact Mass424.11
IUPAC Name5-fluoro-2-methoxy-N-[(7-methoxy-6-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide
SMILESCOc1ccc(F)cc1C(=O)NCC1CCOc2cc(OC)c(S(N)(=O)=O)cc21
InChIInChI=1S/C19H21FN2O6S/c1-26-15-4-3-12(20)7-14(15)19(23)22-10-11-5-6-28-16-9-17(27-2)18(8-13(11)16)29(21,24)25/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,22,23)(H2,21,24,25)
InChIKeyRTTZHBASGMOAJM-UHFFFAOYSA-N
XLogP1.79
TPSA116.95 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.45
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methoxy-N-[(7-methoxy-6-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide?
The IUPAC name of 5-fluoro-2-methoxy-N-[(7-methoxy-6-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide (CID 18973598) is 5-fluoro-2-methoxy-N-[(7-methoxy-6-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide.
What is the SMILES notation for 5-fluoro-2-methoxy-N-[(7-methoxy-6-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide?
The canonical SMILES for 5-fluoro-2-methoxy-N-[(7-methoxy-6-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide is COc1ccc(F)cc1C(=O)NCC1CCOc2cc(OC)c(S(N)(=O)=O)cc21.
What is the InChIKey of 5-fluoro-2-methoxy-N-[(7-methoxy-6-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide?
The InChIKey is RTTZHBASGMOAJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21FN2O6S/c1-26-15-4-3-12(20)7-14(15)19(23)22-10-11-5-6-28-16-9-17(27-2)18(8-13(11)16)29(21,24)25/h3-4,7-9,11H,5-6,10H2,1-2H3,(H,22,23)(H2,21,24,25).
What are the key properties of 5-fluoro-2-methoxy-N-[(7-methoxy-6-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide?
5-fluoro-2-methoxy-N-[(7-methoxy-6-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide has a molecular weight of 424.45 g/mol, XLogP of 1.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methoxy-N-[(7-methoxy-6-sulfamoyl-3,4-dihydro-2H-chromen-4-yl)methyl]benzamide is sourced from PubChem (CID 18973598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).