7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one

C17H14O6S — CID 7245877

IUPAC7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one
SMILESCOc1ccc(S(=O)(=O)c2cc3ccc(OC)cc3oc2=O)cc1
InChIInChI=1S/C17H14O6S/c1-21-12-5-7-14(8-6-12)24(19,20)16-9-11-3-4-13(22-2)10-15(11)23-17(16)18/h3-10H,1-2H3
InChIKeyPKNZTJGBFADQLG-UHFFFAOYSA-N
MW346.36 g/mol
LogP2.64
Rot. Bonds4

About 7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one

7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one (PubChem CID 7245877) has the molecular formula C17H14O6S and a molecular weight of 346.36 g/mol. Its IUPAC name is 7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one.

Molecular Properties

Compound Name7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one
PubChem CID7245877
Molecular FormulaC17H14O6S
Molecular Weight346.36 g/mol
Exact Mass346.05
IUPAC Name7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one
SMILESCOc1ccc(S(=O)(=O)c2cc3ccc(OC)cc3oc2=O)cc1
InChIInChI=1S/C17H14O6S/c1-21-12-5-7-14(8-6-12)24(19,20)16-9-11-3-4-13(22-2)10-15(11)23-17(16)18/h3-10H,1-2H3
InChIKeyPKNZTJGBFADQLG-UHFFFAOYSA-N
XLogP2.64
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.36
LogP ≤ 52.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(3,4-dimethylphenyl)sulfonyl-6-methoxychromen-2-one
CID 2134720
[3-(4-methylphenyl)sulfonyl-2-oxochromen-7-yl] acetate
CID 12701710
4-methoxy-N-[(E)-1-(7-methoxy-2-oxochromen-3-yl)ethylideneamino]benzenesulfonamide
CID 176514673
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
6-methoxy-2-oxochromene-3-sulfonamide
CID 164608873
3-(2-fluorophenyl)sulfonyl-6-methoxychromen-2-one
CID 7246257
7-methoxy-2-oxochromene-3-carbaldehyde
CID 10420437
7-methoxy-3-[(3R)-3-methylpiperidin-1-yl]sulfonylchromen-2-one
CID 92501766
4-hydroxy-7-methoxy-3-(4-methylphenyl)sulfonylchromen-2-one
CID 54695448
N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2-oxochromene-6-carboxamide
CID 46255904
1,4-dimethoxy-2-(4-methoxyphenyl)sulfonylbenzene
CID 132609518
1-methoxy-4-[4-(4-methoxyphenyl)sulfonylphenyl]sulfonylbenzene
CID 71186281

Frequently Asked Questions

What is the IUPAC name of 7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one?
The IUPAC name of 7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one (CID 7245877) is 7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one.
What is the SMILES notation for 7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one?
The canonical SMILES for 7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one is COc1ccc(S(=O)(=O)c2cc3ccc(OC)cc3oc2=O)cc1.
What is the InChIKey of 7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one?
The InChIKey is PKNZTJGBFADQLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14O6S/c1-21-12-5-7-14(8-6-12)24(19,20)16-9-11-3-4-13(22-2)10-15(11)23-17(16)18/h3-10H,1-2H3.
What are the key properties of 7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one?
7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one has a molecular weight of 346.36 g/mol, XLogP of 2.64, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one is sourced from PubChem (CID 7245877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).