2-(4-sulfamoylphenoxy)ethyl 2H-chromene-3-carboxylate

C18H17NO6S — CID 8821537

IUPAC2-(4-sulfamoylphenoxy)ethyl 2H-chromene-3-carboxylate
SMILESNS(=O)(=O)c1ccc(OCCOC(=O)C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C18H17NO6S/c19-26(21,22)16-7-5-15(6-8-16)23-9-10-24-18(20)14-11-13-3-1-2-4-17(13)25-12-14/h1-8,11H,9-10,12H2,(H2,19,21,22)
InChIKeyAOLSYIIWXHHMFY-UHFFFAOYSA-N
MW375.40 g/mol
LogP1.73
Rot. Bonds6

About 2-(4-sulfamoylphenoxy)ethyl 2H-chromene-3-carboxylate

2-(4-sulfamoylphenoxy)ethyl 2H-chromene-3-carboxylate (PubChem CID 8821537) has the molecular formula C18H17NO6S and a molecular weight of 375.40 g/mol. Its IUPAC name is 2-(4-sulfamoylphenoxy)ethyl 2H-chromene-3-carboxylate.

Molecular Properties

Compound Name2-(4-sulfamoylphenoxy)ethyl 2H-chromene-3-carboxylate
PubChem CID8821537
Molecular FormulaC18H17NO6S
Molecular Weight375.40 g/mol
Exact Mass375.08
IUPAC Name2-(4-sulfamoylphenoxy)ethyl 2H-chromene-3-carboxylate
SMILESNS(=O)(=O)c1ccc(OCCOC(=O)C2=Cc3ccccc3OC2)cc1
InChIInChI=1S/C18H17NO6S/c19-26(21,22)16-7-5-15(6-8-16)23-9-10-24-18(20)14-11-13-3-1-2-4-17(13)25-12-14/h1-8,11H,9-10,12H2,(H2,19,21,22)
InChIKeyAOLSYIIWXHHMFY-UHFFFAOYSA-N
XLogP1.73
TPSA104.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.40
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(4-methoxyphenoxy)ethyl 2H-chromene-3-carboxylate
CID 8744287
2-(4-sulfamoylphenoxy)ethyl 4-iodobenzoate
CID 34125400
[2-(methylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8742887
[2-(benzylamino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 24981343
2-(4-sulfamoylphenoxy)ethyl 2-methyl-2-phenylpropanoate
CID 8568254
2-(4-sulfamoylphenoxy)ethyl 4-acetamidobenzoate
CID 34129136
[2-oxo-2-(2-thiophen-2-ylethylamino)ethyl] 2H-chromene-3-carboxylate
CID 8748008
[2-(4-methylanilino)-2-oxoethyl] 2H-chromene-3-carboxylate
CID 8741779
(2-oxo-2-phenothiazin-10-ylethyl) 2H-chromene-3-carboxylate
CID 8742264
2-(4-sulfamoylphenoxy)ethyl 3-phenyl-1H-pyrazole-5-carboxylate
CID 40661255
2-(4-sulfamoylphenoxy)ethyl 2-methyl-1H-indole-3-carboxylate
CID 35193490
2-(4-sulfamoylphenoxy)ethyl 5-(4-fluorophenyl)thiophene-2-carboxylate
CID 46608934

Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfamoylphenoxy)ethyl 2H-chromene-3-carboxylate?
The IUPAC name of 2-(4-sulfamoylphenoxy)ethyl 2H-chromene-3-carboxylate (CID 8821537) is 2-(4-sulfamoylphenoxy)ethyl 2H-chromene-3-carboxylate.
What is the SMILES notation for 2-(4-sulfamoylphenoxy)ethyl 2H-chromene-3-carboxylate?
The canonical SMILES for 2-(4-sulfamoylphenoxy)ethyl 2H-chromene-3-carboxylate is NS(=O)(=O)c1ccc(OCCOC(=O)C2=Cc3ccccc3OC2)cc1.
What is the InChIKey of 2-(4-sulfamoylphenoxy)ethyl 2H-chromene-3-carboxylate?
The InChIKey is AOLSYIIWXHHMFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17NO6S/c19-26(21,22)16-7-5-15(6-8-16)23-9-10-24-18(20)14-11-13-3-1-2-4-17(13)25-12-14/h1-8,11H,9-10,12H2,(H2,19,21,22).
What are the key properties of 2-(4-sulfamoylphenoxy)ethyl 2H-chromene-3-carboxylate?
2-(4-sulfamoylphenoxy)ethyl 2H-chromene-3-carboxylate has a molecular weight of 375.40 g/mol, XLogP of 1.73, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfamoylphenoxy)ethyl 2H-chromene-3-carboxylate is sourced from PubChem (CID 8821537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).