1-[(2-fluorophenyl)sulfonylamino]-2,3a,4,9b-tetrahydro-1H-furo[2,3-c]chromene-6-carboxylic acid

C18H16FNO6S — CID 172767644

IUPAC1-[(2-fluorophenyl)sulfonylamino]-2,3a,4,9b-tetrahydro-1H-furo[2,3-c]chromene-6-carboxylic acid
SMILESO=C(O)c1cccc2c1OCC1OCC(NS(=O)(=O)c3ccccc3F)C21
InChIInChI=1S/C18H16FNO6S/c19-12-6-1-2-7-15(12)27(23,24)20-13-8-25-14-9-26-17-10(16(13)14)4-3-5-11(17)18(21)22/h1-7,13-14,16,20H,8-9H2,(H,21,22)
InChIKeyMNKIFBHECUDYOR-UHFFFAOYSA-N
MW393.39 g/mol
LogP1.75
Rot. Bonds4

About 1-[(2-fluorophenyl)sulfonylamino]-2,3a,4,9b-tetrahydro-1H-furo[2,3-c]chromene-6-carboxylic acid

1-[(2-fluorophenyl)sulfonylamino]-2,3a,4,9b-tetrahydro-1H-furo[2,3-c]chromene-6-carboxylic acid (PubChem CID 172767644) has the molecular formula C18H16FNO6S and a molecular weight of 393.39 g/mol. Its IUPAC name is 1-[(2-fluorophenyl)sulfonylamino]-2,3a,4,9b-tetrahydro-1H-furo[2,3-c]chromene-6-carboxylic acid.

Molecular Properties

Compound Name1-[(2-fluorophenyl)sulfonylamino]-2,3a,4,9b-tetrahydro-1H-furo[2,3-c]chromene-6-carboxylic acid
PubChem CID172767644
Molecular FormulaC18H16FNO6S
Molecular Weight393.39 g/mol
Exact Mass393.07
IUPAC Name1-[(2-fluorophenyl)sulfonylamino]-2,3a,4,9b-tetrahydro-1H-furo[2,3-c]chromene-6-carboxylic acid
SMILESO=C(O)c1cccc2c1OCC1OCC(NS(=O)(=O)c3ccccc3F)C21
InChIInChI=1S/C18H16FNO6S/c19-12-6-1-2-7-15(12)27(23,24)20-13-8-25-14-9-26-17-10(16(13)14)4-3-5-11(17)18(21)22/h1-7,13-14,16,20H,8-9H2,(H,21,22)
InChIKeyMNKIFBHECUDYOR-UHFFFAOYSA-N
XLogP1.75
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.39
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-fluorophenyl)sulfonylamino]-2,3a,4,9b-tetrahydro-1H-furo[2,3-c]chromene-6-carboxylic acid?
The IUPAC name of 1-[(2-fluorophenyl)sulfonylamino]-2,3a,4,9b-tetrahydro-1H-furo[2,3-c]chromene-6-carboxylic acid (CID 172767644) is 1-[(2-fluorophenyl)sulfonylamino]-2,3a,4,9b-tetrahydro-1H-furo[2,3-c]chromene-6-carboxylic acid.
What is the SMILES notation for 1-[(2-fluorophenyl)sulfonylamino]-2,3a,4,9b-tetrahydro-1H-furo[2,3-c]chromene-6-carboxylic acid?
The canonical SMILES for 1-[(2-fluorophenyl)sulfonylamino]-2,3a,4,9b-tetrahydro-1H-furo[2,3-c]chromene-6-carboxylic acid is O=C(O)c1cccc2c1OCC1OCC(NS(=O)(=O)c3ccccc3F)C21.
What is the InChIKey of 1-[(2-fluorophenyl)sulfonylamino]-2,3a,4,9b-tetrahydro-1H-furo[2,3-c]chromene-6-carboxylic acid?
The InChIKey is MNKIFBHECUDYOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16FNO6S/c19-12-6-1-2-7-15(12)27(23,24)20-13-8-25-14-9-26-17-10(16(13)14)4-3-5-11(17)18(21)22/h1-7,13-14,16,20H,8-9H2,(H,21,22).
What are the key properties of 1-[(2-fluorophenyl)sulfonylamino]-2,3a,4,9b-tetrahydro-1H-furo[2,3-c]chromene-6-carboxylic acid?
1-[(2-fluorophenyl)sulfonylamino]-2,3a,4,9b-tetrahydro-1H-furo[2,3-c]chromene-6-carboxylic acid has a molecular weight of 393.39 g/mol, XLogP of 1.75, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-fluorophenyl)sulfonylamino]-2,3a,4,9b-tetrahydro-1H-furo[2,3-c]chromene-6-carboxylic acid is sourced from PubChem (CID 172767644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).