3-(2-fluorophenyl)sulfonyl-6-methoxychromen-2-one

C16H11FO5S — CID 7246257

IUPAC3-(2-fluorophenyl)sulfonyl-6-methoxychromen-2-one
SMILESCOc1ccc2oc(=O)c(S(=O)(=O)c3ccccc3F)cc2c1
InChIInChI=1S/C16H11FO5S/c1-21-11-6-7-13-10(8-11)9-15(16(18)22-13)23(19,20)14-5-3-2-4-12(14)17/h2-9H,1H3
InChIKeyFMFNMWOKGGMBCA-UHFFFAOYSA-N
MW334.32 g/mol
LogP2.77
Rot. Bonds3

About 3-(2-fluorophenyl)sulfonyl-6-methoxychromen-2-one

3-(2-fluorophenyl)sulfonyl-6-methoxychromen-2-one (PubChem CID 7246257) has the molecular formula C16H11FO5S and a molecular weight of 334.32 g/mol. Its IUPAC name is 3-(2-fluorophenyl)sulfonyl-6-methoxychromen-2-one.

Molecular Properties

Compound Name3-(2-fluorophenyl)sulfonyl-6-methoxychromen-2-one
PubChem CID7246257
Molecular FormulaC16H11FO5S
Molecular Weight334.32 g/mol
Exact Mass334.03
IUPAC Name3-(2-fluorophenyl)sulfonyl-6-methoxychromen-2-one
SMILESCOc1ccc2oc(=O)c(S(=O)(=O)c3ccccc3F)cc2c1
InChIInChI=1S/C16H11FO5S/c1-21-11-6-7-13-10(8-11)9-15(16(18)22-13)23(19,20)14-5-3-2-4-12(14)17/h2-9H,1H3
InChIKeyFMFNMWOKGGMBCA-UHFFFAOYSA-N
XLogP2.77
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.32
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methoxy-2-oxochromene-3-sulfonamide
CID 164608873
3-(3,4-dimethylphenyl)sulfonyl-6-methoxychromen-2-one
CID 2134720
7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one
CID 7245877
6-methoxy-3-(4-methylpiperazin-1-yl)sulfonylchromen-2-one
CID 20931234
N-(2,6-difluorophenyl)-6-methoxy-2-oxochromene-3-carboxamide
CID 4059771
6-hydroxy-3-(6-hydroxy-2-oxochromen-3-yl)sulfonylchromen-2-one
CID 11682483
6-chloro-3-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylmethylsulfonyl]chromen-2-one
CID 152766502
3-(benzenesulfonyl)-7-hydroxychromen-2-one;3-(3-chloro-4-fluorophenyl)sulfonyl-7-hydroxychromen-2-one;3-(3-chloro-4-fluorophenyl)sulfonyl-7-methoxychromen-2-one;3-(4-chlorophenyl)sulfonyl-7-methoxychromen-2-one;3-(3,4-dichlorophenyl)sulfonyl-7-methoxychromen-2-one;3-(3,4-dimethoxyphenyl)sulfonyl-7-methoxychromen-2-one
CID 158732900
N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2-oxochromene-6-carboxamide
CID 46255904
8-methoxy-3-(3-methoxyphenyl)sulfonylchromen-2-one
CID 22425061
2-fluoro-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 60643138
6-chloro-3-(4-chlorophenyl)sulfonylchromen-2-one
CID 2134723

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluorophenyl)sulfonyl-6-methoxychromen-2-one?
The IUPAC name of 3-(2-fluorophenyl)sulfonyl-6-methoxychromen-2-one (CID 7246257) is 3-(2-fluorophenyl)sulfonyl-6-methoxychromen-2-one.
What is the SMILES notation for 3-(2-fluorophenyl)sulfonyl-6-methoxychromen-2-one?
The canonical SMILES for 3-(2-fluorophenyl)sulfonyl-6-methoxychromen-2-one is COc1ccc2oc(=O)c(S(=O)(=O)c3ccccc3F)cc2c1.
What is the InChIKey of 3-(2-fluorophenyl)sulfonyl-6-methoxychromen-2-one?
The InChIKey is FMFNMWOKGGMBCA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FO5S/c1-21-11-6-7-13-10(8-11)9-15(16(18)22-13)23(19,20)14-5-3-2-4-12(14)17/h2-9H,1H3.
What are the key properties of 3-(2-fluorophenyl)sulfonyl-6-methoxychromen-2-one?
3-(2-fluorophenyl)sulfonyl-6-methoxychromen-2-one has a molecular weight of 334.32 g/mol, XLogP of 2.77, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluorophenyl)sulfonyl-6-methoxychromen-2-one is sourced from PubChem (CID 7246257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).