7-(diethylamino)-3-(4-fluorophenyl)sulfonylchromen-2-one

C19H18FNO4S — CID 20864487

IUPAC7-(diethylamino)-3-(4-fluorophenyl)sulfonylchromen-2-one
SMILESCCN(CC)c1ccc2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)oc2c1
InChIInChI=1S/C19H18FNO4S/c1-3-21(4-2)15-8-5-13-11-18(19(22)25-17(13)12-15)26(23,24)16-9-6-14(20)7-10-16/h5-12H,3-4H2,1-2H3
InChIKeyREEWJZAMRBTBNY-UHFFFAOYSA-N
MW375.42 g/mol
LogP3.61
Rot. Bonds5

About 7-(diethylamino)-3-(4-fluorophenyl)sulfonylchromen-2-one

7-(diethylamino)-3-(4-fluorophenyl)sulfonylchromen-2-one (PubChem CID 20864487) has the molecular formula C19H18FNO4S and a molecular weight of 375.42 g/mol. Its IUPAC name is 7-(diethylamino)-3-(4-fluorophenyl)sulfonylchromen-2-one.

Molecular Properties

Compound Name7-(diethylamino)-3-(4-fluorophenyl)sulfonylchromen-2-one
PubChem CID20864487
Molecular FormulaC19H18FNO4S
Molecular Weight375.42 g/mol
Exact Mass375.09
IUPAC Name7-(diethylamino)-3-(4-fluorophenyl)sulfonylchromen-2-one
SMILESCCN(CC)c1ccc2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)oc2c1
InChIInChI=1S/C19H18FNO4S/c1-3-21(4-2)15-8-5-13-11-18(19(22)25-17(13)12-15)26(23,24)16-9-6-14(20)7-10-16/h5-12H,3-4H2,1-2H3
InChIKeyREEWJZAMRBTBNY-UHFFFAOYSA-N
XLogP3.61
TPSA67.59 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 7-(diethylamino)-3-(4-fluorophenyl)sulfonylchromen-2-one?
The IUPAC name of 7-(diethylamino)-3-(4-fluorophenyl)sulfonylchromen-2-one (CID 20864487) is 7-(diethylamino)-3-(4-fluorophenyl)sulfonylchromen-2-one.
What is the SMILES notation for 7-(diethylamino)-3-(4-fluorophenyl)sulfonylchromen-2-one?
The canonical SMILES for 7-(diethylamino)-3-(4-fluorophenyl)sulfonylchromen-2-one is CCN(CC)c1ccc2cc(S(=O)(=O)c3ccc(F)cc3)c(=O)oc2c1.
What is the InChIKey of 7-(diethylamino)-3-(4-fluorophenyl)sulfonylchromen-2-one?
The InChIKey is REEWJZAMRBTBNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FNO4S/c1-3-21(4-2)15-8-5-13-11-18(19(22)25-17(13)12-15)26(23,24)16-9-6-14(20)7-10-16/h5-12H,3-4H2,1-2H3.
What are the key properties of 7-(diethylamino)-3-(4-fluorophenyl)sulfonylchromen-2-one?
7-(diethylamino)-3-(4-fluorophenyl)sulfonylchromen-2-one has a molecular weight of 375.42 g/mol, XLogP of 3.61, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(diethylamino)-3-(4-fluorophenyl)sulfonylchromen-2-one is sourced from PubChem (CID 20864487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).