7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4H-furo[2,3-c]chromene-6-carboxylic acid

C25H25FN2O6S — CID 56643565

IUPAC7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4H-furo[2,3-c]chromene-6-carboxylic acid
SMILESCCN(CC)C/C=C\c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)OCc1occc1-2
InChIInChI=1S/C25H25FN2O6S/c1-3-28(4-2)12-5-6-16-14-17(26)7-10-22(16)35(31,32)27-20-9-8-19-18-11-13-33-21(18)15-34-24(19)23(20)25(29)30/h5-11,13-14,27H,3-4,12,15H2,1-2H3,(H,29,30)/b6-5-
InChIKeyRFPRHKPCTLCDEC-WAYWQWQTSA-N
MW500.55 g/mol
LogP4.83
Rot. Bonds9

About 7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4H-furo[2,3-c]chromene-6-carboxylic acid

7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4H-furo[2,3-c]chromene-6-carboxylic acid (PubChem CID 56643565) has the molecular formula C25H25FN2O6S and a molecular weight of 500.55 g/mol. Its IUPAC name is 7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4H-furo[2,3-c]chromene-6-carboxylic acid.

Molecular Properties

Compound Name7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4H-furo[2,3-c]chromene-6-carboxylic acid
PubChem CID56643565
Molecular FormulaC25H25FN2O6S
Molecular Weight500.55 g/mol
Exact Mass500.14
IUPAC Name7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4H-furo[2,3-c]chromene-6-carboxylic acid
SMILESCCN(CC)C/C=C\c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)OCc1occc1-2
InChIInChI=1S/C25H25FN2O6S/c1-3-28(4-2)12-5-6-16-14-17(26)7-10-22(16)35(31,32)27-20-9-8-19-18-11-13-33-21(18)15-34-24(19)23(20)25(29)30/h5-11,13-14,27H,3-4,12,15H2,1-2H3,(H,29,30)/b6-5-
InChIKeyRFPRHKPCTLCDEC-WAYWQWQTSA-N
XLogP4.83
TPSA109.08 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500500.55
LogP ≤ 54.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4H-furo[2,3-c]chromene-6-carboxylic acid 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 7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4H-furo[2,3-c]chromene-6-carboxylic acid?
The IUPAC name of 7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4H-furo[2,3-c]chromene-6-carboxylic acid (CID 56643565) is 7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4H-furo[2,3-c]chromene-6-carboxylic acid.
What is the SMILES notation for 7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4H-furo[2,3-c]chromene-6-carboxylic acid?
The canonical SMILES for 7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4H-furo[2,3-c]chromene-6-carboxylic acid is CCN(CC)C/C=C\c1cc(F)ccc1S(=O)(=O)Nc1ccc2c(c1C(=O)O)OCc1occc1-2.
What is the InChIKey of 7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4H-furo[2,3-c]chromene-6-carboxylic acid?
The InChIKey is RFPRHKPCTLCDEC-WAYWQWQTSA-N. The full InChI is InChI=1S/C25H25FN2O6S/c1-3-28(4-2)12-5-6-16-14-17(26)7-10-22(16)35(31,32)27-20-9-8-19-18-11-13-33-21(18)15-34-24(19)23(20)25(29)30/h5-11,13-14,27H,3-4,12,15H2,1-2H3,(H,29,30)/b6-5-.
What are the key properties of 7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4H-furo[2,3-c]chromene-6-carboxylic acid?
7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4H-furo[2,3-c]chromene-6-carboxylic acid has a molecular weight of 500.55 g/mol, XLogP of 4.83, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[[2-[(Z)-3-(diethylamino)prop-1-enyl]-4-fluorophenyl]sulfonylamino]-4H-furo[2,3-c]chromene-6-carboxylic acid is sourced from PubChem (CID 56643565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).