[3-(4-oxo-7-sulfamoyloxychromen-2-yl)phenyl] sulfamate

C15H12N2O8S2 — CID 23553032

IUPAC[3-(4-oxo-7-sulfamoyloxychromen-2-yl)phenyl] sulfamate
SMILESNS(=O)(=O)Oc1cccc(-c2cc(=O)c3ccc(OS(N)(=O)=O)cc3o2)c1
InChIInChI=1S/C15H12N2O8S2/c16-26(19,20)24-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(7-15(12)23-14)25-27(17,21)22/h1-8H,(H2,16,19,20)(H2,17,21,22)
InChIKeyFBNUZTVEBFFXAM-UHFFFAOYSA-N
MW412.40 g/mol
LogP0.62
Rot. Bonds5

About [3-(4-oxo-7-sulfamoyloxychromen-2-yl)phenyl] sulfamate

[3-(4-oxo-7-sulfamoyloxychromen-2-yl)phenyl] sulfamate (PubChem CID 23553032) has the molecular formula C15H12N2O8S2 and a molecular weight of 412.40 g/mol. Its IUPAC name is [3-(4-oxo-7-sulfamoyloxychromen-2-yl)phenyl] sulfamate.

Molecular Properties

Compound Name[3-(4-oxo-7-sulfamoyloxychromen-2-yl)phenyl] sulfamate
PubChem CID23553032
Molecular FormulaC15H12N2O8S2
Molecular Weight412.40 g/mol
Exact Mass412.00
IUPAC Name[3-(4-oxo-7-sulfamoyloxychromen-2-yl)phenyl] sulfamate
SMILESNS(=O)(=O)Oc1cccc(-c2cc(=O)c3ccc(OS(N)(=O)=O)cc3o2)c1
InChIInChI=1S/C15H12N2O8S2/c16-26(19,20)24-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(7-15(12)23-14)25-27(17,21)22/h1-8H,(H2,16,19,20)(H2,17,21,22)
InChIKeyFBNUZTVEBFFXAM-UHFFFAOYSA-N
XLogP0.62
TPSA168.99 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.40
LogP ≤ 50.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

[3-(6,7-dihydroxy-4-oxochromen-2-yl)phenyl] hydrogen sulfate
CID 131837275
(4-oxo-2-propylchromen-7-yl) sulfamate
CID 11087274
7-(2,5-diaminophenoxy)-2-phenylchromen-4-one
CID 139992602
7-(aminomethoxy)-2-phenylchromen-4-one
CID 88981514
2-[3-[2-(dimethylamino)ethoxy]phenyl]chromen-4-one
CID 59086251
7-methoxy-2-(3-methoxyphenyl)-6-methylchromen-4-one
CID 134910542
(4-oxo-2-phenylchromen-7-yl) acetate
CID 12553720
7-hydroxy-2-phenylchromen-4-one
CID 5281894
7-(4-methoxyanilino)-2-phenylchromen-4-one
CID 122366467
2-phenylchromen-4-one
CID 90124083
6-(dimethylamino)-2-(3-methoxyphenyl)chromen-4-one
CID 23001746
2-(4-bromophenyl)-7-methoxychromen-4-one
CID 25032618

Frequently Asked Questions

What is the IUPAC name of [3-(4-oxo-7-sulfamoyloxychromen-2-yl)phenyl] sulfamate?
The IUPAC name of [3-(4-oxo-7-sulfamoyloxychromen-2-yl)phenyl] sulfamate (CID 23553032) is [3-(4-oxo-7-sulfamoyloxychromen-2-yl)phenyl] sulfamate.
What is the SMILES notation for [3-(4-oxo-7-sulfamoyloxychromen-2-yl)phenyl] sulfamate?
The canonical SMILES for [3-(4-oxo-7-sulfamoyloxychromen-2-yl)phenyl] sulfamate is NS(=O)(=O)Oc1cccc(-c2cc(=O)c3ccc(OS(N)(=O)=O)cc3o2)c1.
What is the InChIKey of [3-(4-oxo-7-sulfamoyloxychromen-2-yl)phenyl] sulfamate?
The InChIKey is FBNUZTVEBFFXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N2O8S2/c16-26(19,20)24-10-3-1-2-9(6-10)14-8-13(18)12-5-4-11(7-15(12)23-14)25-27(17,21)22/h1-8H,(H2,16,19,20)(H2,17,21,22).
What are the key properties of [3-(4-oxo-7-sulfamoyloxychromen-2-yl)phenyl] sulfamate?
[3-(4-oxo-7-sulfamoyloxychromen-2-yl)phenyl] sulfamate has a molecular weight of 412.40 g/mol, XLogP of 0.62, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(4-oxo-7-sulfamoyloxychromen-2-yl)phenyl] sulfamate is sourced from PubChem (CID 23553032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).