6-methoxy-2-oxochromene-3-sulfonamide

C10H9NO5S — CID 164608873

IUPAC6-methoxy-2-oxochromene-3-sulfonamide
SMILESCOc1ccc2oc(=O)c(S(N)(=O)=O)cc2c1
InChIInChI=1S/C10H9NO5S/c1-15-7-2-3-8-6(4-7)5-9(10(12)16-8)17(11,13)14/h2-5H,1H3,(H2,11,13,14)
InChIKeyBKWNFAYLEISDTB-UHFFFAOYSA-N
MW255.25 g/mol
LogP0.45
Rot. Bonds2

About 6-methoxy-2-oxochromene-3-sulfonamide

6-methoxy-2-oxochromene-3-sulfonamide (PubChem CID 164608873) has the molecular formula C10H9NO5S and a molecular weight of 255.25 g/mol. Its IUPAC name is 6-methoxy-2-oxochromene-3-sulfonamide.

Molecular Properties

Compound Name6-methoxy-2-oxochromene-3-sulfonamide
PubChem CID164608873
Molecular FormulaC10H9NO5S
Molecular Weight255.25 g/mol
Exact Mass255.02
IUPAC Name6-methoxy-2-oxochromene-3-sulfonamide
SMILESCOc1ccc2oc(=O)c(S(N)(=O)=O)cc2c1
InChIInChI=1S/C10H9NO5S/c1-15-7-2-3-8-6(4-7)5-9(10(12)16-8)17(11,13)14/h2-5H,1H3,(H2,11,13,14)
InChIKeyBKWNFAYLEISDTB-UHFFFAOYSA-N
XLogP0.45
TPSA99.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.25
LogP ≤ 50.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

6-methyl-2-oxochromene-3-sulfonamide
CID 141216239
3-(2-fluorophenyl)sulfonyl-6-methoxychromen-2-one
CID 7246257
3-(3,4-dimethylphenyl)sulfonyl-6-methoxychromen-2-one
CID 2134720
6-methoxy-3-(4-methylpiperazin-1-yl)sulfonylchromen-2-one
CID 20931234
7-methoxy-3-(4-methoxyphenyl)sulfonylchromen-2-one
CID 7245877
6-chloro-3-[[(E)-2-(4-methoxyphenyl)ethenyl]sulfonylmethylsulfonyl]chromen-2-one
CID 152766502
(4-methoxycarbonylphenyl) 6-methoxy-2-oxochromene-3-carboxylate
CID 19207230
6-methoxy-3-(4-methyl-1,3-thiazol-2-yl)chromen-2-one
CID 657928
3-(4-bromobenzoyl)-6-methoxychromen-2-one
CID 141458884
[(2S)-1-(5-methoxy-1-benzofuran-2-yl)-1-oxopropan-2-yl] methanesulfonate
CID 101192784
N-(4-methoxyphenyl)-3-(4-methylphenyl)sulfonyl-2-oxochromene-6-carboxamide
CID 46255904
1-(5-methoxy-1-benzofuran-2-yl)-N,2,2-trimethylpropan-1-amine
CID 65438890

Frequently Asked Questions

What is the IUPAC name of 6-methoxy-2-oxochromene-3-sulfonamide?
The IUPAC name of 6-methoxy-2-oxochromene-3-sulfonamide (CID 164608873) is 6-methoxy-2-oxochromene-3-sulfonamide.
What is the SMILES notation for 6-methoxy-2-oxochromene-3-sulfonamide?
The canonical SMILES for 6-methoxy-2-oxochromene-3-sulfonamide is COc1ccc2oc(=O)c(S(N)(=O)=O)cc2c1.
What is the InChIKey of 6-methoxy-2-oxochromene-3-sulfonamide?
The InChIKey is BKWNFAYLEISDTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO5S/c1-15-7-2-3-8-6(4-7)5-9(10(12)16-8)17(11,13)14/h2-5H,1H3,(H2,11,13,14).
What are the key properties of 6-methoxy-2-oxochromene-3-sulfonamide?
6-methoxy-2-oxochromene-3-sulfonamide has a molecular weight of 255.25 g/mol, XLogP of 0.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methoxy-2-oxochromene-3-sulfonamide is sourced from PubChem (CID 164608873), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).