ethyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate

C12H15NO5S — CID 65379594

IUPACethyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
SMILESCCOC(=O)C1CCOc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C12H15NO5S/c1-2-17-12(14)9-5-6-18-11-4-3-8(7-10(9)11)19(13,15)16/h3-4,7,9H,2,5-6H2,1H3,(H2,13,15,16)
InChIKeySSXYOWMHWIGYDA-UHFFFAOYSA-N
MW285.32 g/mol
LogP0.76
Rot. Bonds3

About ethyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate

ethyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate (PubChem CID 65379594) has the molecular formula C12H15NO5S and a molecular weight of 285.32 g/mol. Its IUPAC name is ethyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate.

Molecular Properties

Compound Nameethyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
PubChem CID65379594
Molecular FormulaC12H15NO5S
Molecular Weight285.32 g/mol
Exact Mass285.07
IUPAC Nameethyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
SMILESCCOC(=O)C1CCOc2ccc(S(N)(=O)=O)cc21
InChIInChI=1S/C12H15NO5S/c1-2-17-12(14)9-5-6-18-11-4-3-8(7-10(9)11)19(13,15)16/h3-4,7,9H,2,5-6H2,1H3,(H2,13,15,16)
InChIKeySSXYOWMHWIGYDA-UHFFFAOYSA-N
XLogP0.76
TPSA95.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.32
LogP ≤ 50.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

cyclobutyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
CID 65382512
oxetan-3-yl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate
CID 102608652
ethyl 6-chloro-7-hydroxy-3,4-dihydro-2H-chromene-4-carboxylate
CID 53393319
4-amino-3,4-dihydro-2H-chromene-6-sulfonamide
CID 43186511
N-ethyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 65375241
4-carbamoyl-3,4-dihydro-2H-chromene-6-sulfonyl chloride
CID 65367733
N-butan-2-yl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 65388913
ethyl 7-bromo-5-oxo-3,4-dihydro-2H-1-benzoxepine-4-carboxylate
CID 82239917
4-(propylcarbamoyl)-3,4-dihydro-2H-chromene-6-sulfonyl chloride
CID 65368865
N-butyl-N-methyl-5-sulfamoyl-2,3-dihydro-1-benzofuran-3-carboxamide
CID 65373485
methyl 6-fluoro-3,4-dihydro-2H-chromene-4-carboxylate
CID 14986536
ethyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate
CID 1075972

Frequently Asked Questions

What is the IUPAC name of ethyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate?
The IUPAC name of ethyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate (CID 65379594) is ethyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate.
What is the SMILES notation for ethyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate?
The canonical SMILES for ethyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate is CCOC(=O)C1CCOc2ccc(S(N)(=O)=O)cc21.
What is the InChIKey of ethyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate?
The InChIKey is SSXYOWMHWIGYDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15NO5S/c1-2-17-12(14)9-5-6-18-11-4-3-8(7-10(9)11)19(13,15)16/h3-4,7,9H,2,5-6H2,1H3,(H2,13,15,16).
What are the key properties of ethyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate?
ethyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate has a molecular weight of 285.32 g/mol, XLogP of 0.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-sulfamoyl-3,4-dihydro-2H-chromene-4-carboxylate is sourced from PubChem (CID 65379594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).