methyl N-(4-oxochromen-3-yl)sulfonylcarbamate

C11H9NO6S — CID 14931413

IUPACmethyl N-(4-oxochromen-3-yl)sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)c1coc2ccccc2c1=O
InChIInChI=1S/C11H9NO6S/c1-17-11(14)12-19(15,16)9-6-18-8-5-3-2-4-7(8)10(9)13/h2-6H,1H3,(H,12,14)
InChIKeyROKIXURBZUHKSG-UHFFFAOYSA-N
MW283.26 g/mol
LogP0.84
Rot. Bonds2

About methyl N-(4-oxochromen-3-yl)sulfonylcarbamate

methyl N-(4-oxochromen-3-yl)sulfonylcarbamate (PubChem CID 14931413) has the molecular formula C11H9NO6S and a molecular weight of 283.26 g/mol. Its IUPAC name is methyl N-(4-oxochromen-3-yl)sulfonylcarbamate.

Molecular Properties

Compound Namemethyl N-(4-oxochromen-3-yl)sulfonylcarbamate
PubChem CID14931413
Molecular FormulaC11H9NO6S
Molecular Weight283.26 g/mol
Exact Mass283.02
IUPAC Namemethyl N-(4-oxochromen-3-yl)sulfonylcarbamate
SMILESCOC(=O)NS(=O)(=O)c1coc2ccccc2c1=O
InChIInChI=1S/C11H9NO6S/c1-17-11(14)12-19(15,16)9-6-18-8-5-3-2-4-7(8)10(9)13/h2-6H,1H3,(H,12,14)
InChIKeyROKIXURBZUHKSG-UHFFFAOYSA-N
XLogP0.84
TPSA102.68 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.26
LogP ≤ 50.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-nitrophenyl)-4-oxochromene-3-sulfonamide
CID 14931408
methyl N-(benzenesulfonyl)carbamate
CID 676519
3-(4-chlorophenyl)sulfonylchromen-4-one
CID 154714717
methyl 4-(4-oxochromen-3-yl)butanoate
CID 14844821
CID 143974471
CID 143974471
methyl N-[2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carbonyl]carbamate
CID 7167067
benzene;3-hydroxychromen-4-one
CID 175480795
methyl 2-[(4-oxochromene-3-carbonyl)amino]thiophene-3-carboxylate
CID 7166895
methyl 2-(4-fluorophenyl)-2-(4-oxochromen-3-yl)acetate
CID 154714068
3-(2-hydroxy-4,5-dimethoxyphenyl)chromen-4-one
CID 10804003
ethyl N-[6-oxo-3-(4-oxochromen-3-yl)-1H-pyridin-2-yl]carbamate
CID 66650211
methyl 2-[1-benzofuran-3-ylmethyl(methyl)amino]-2-methylpropanoate
CID 115128507

Frequently Asked Questions

What is the IUPAC name of methyl N-(4-oxochromen-3-yl)sulfonylcarbamate?
The IUPAC name of methyl N-(4-oxochromen-3-yl)sulfonylcarbamate (CID 14931413) is methyl N-(4-oxochromen-3-yl)sulfonylcarbamate.
What is the SMILES notation for methyl N-(4-oxochromen-3-yl)sulfonylcarbamate?
The canonical SMILES for methyl N-(4-oxochromen-3-yl)sulfonylcarbamate is COC(=O)NS(=O)(=O)c1coc2ccccc2c1=O.
What is the InChIKey of methyl N-(4-oxochromen-3-yl)sulfonylcarbamate?
The InChIKey is ROKIXURBZUHKSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO6S/c1-17-11(14)12-19(15,16)9-6-18-8-5-3-2-4-7(8)10(9)13/h2-6H,1H3,(H,12,14).
What are the key properties of methyl N-(4-oxochromen-3-yl)sulfonylcarbamate?
methyl N-(4-oxochromen-3-yl)sulfonylcarbamate has a molecular weight of 283.26 g/mol, XLogP of 0.84, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-(4-oxochromen-3-yl)sulfonylcarbamate is sourced from PubChem (CID 14931413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).