diethyl 7-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-2,3-dicarboxylate

C23H25NO8S — CID 102467673

IUPACdiethyl 7-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-2,3-dicarboxylate
SMILESCCOC(=O)C1=C(C(=O)OCC)C(NS(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2O1
InChIInChI=1S/C23H25NO8S/c1-5-30-22(25)19-20(24-33(27,28)16-10-7-14(3)8-11-16)17-12-9-15(29-4)13-18(17)32-21(19)23(26)31-6-2/h7-13,20,24H,5-6H2,1-4H3
InChIKeySVRLTOICKIOQJA-UHFFFAOYSA-N
MW475.52 g/mol
LogP2.80
Rot. Bonds8

About diethyl 7-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-2,3-dicarboxylate

diethyl 7-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-2,3-dicarboxylate (PubChem CID 102467673) has the molecular formula C23H25NO8S and a molecular weight of 475.52 g/mol. Its IUPAC name is diethyl 7-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-2,3-dicarboxylate.

Molecular Properties

Compound Namediethyl 7-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-2,3-dicarboxylate
PubChem CID102467673
Molecular FormulaC23H25NO8S
Molecular Weight475.52 g/mol
Exact Mass475.13
IUPAC Namediethyl 7-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-2,3-dicarboxylate
SMILESCCOC(=O)C1=C(C(=O)OCC)C(NS(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2O1
InChIInChI=1S/C23H25NO8S/c1-5-30-22(25)19-20(24-33(27,28)16-10-7-14(3)8-11-16)17-12-9-15(29-4)13-18(17)32-21(19)23(26)31-6-2/h7-13,20,24H,5-6H2,1-4H3
InChIKeySVRLTOICKIOQJA-UHFFFAOYSA-N
XLogP2.80
TPSA117.23 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.52
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3-methoxy-9H-xanthen-9-yl)-4-methylbenzenesulfonamide
CID 102105075
methyl 6-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-3-carboxylate
CID 102595137
ethyl 2-amino-7-hydroxy-4-(4-methoxyphenyl)-4H-chromene-3-carboxylate
CID 3326186
methyl 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-3-carboxylate
CID 102299763
N-[(2S,4S)-4-(1-hydroxypropan-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-methylbenzenesulfonamide
CID 175081802
ethyl 5-methyl-2-[(4-methylphenyl)sulfonylamino]benzoate
CID 150114167
ethyl (2R,3R,4R)-3-methyl-4-[(4-methylphenyl)sulfonylamino]-5-oxooxolane-2-carboxylate
CID 11210015
ethyl 2-[(4-methoxyphenyl)-[(4-methylphenyl)sulfonylamino]methyl]-3-oxobutanoate
CID 71579305
ethyl (Z)-2-(3,5-dimethoxyphenyl)-3-[(4-methylphenyl)sulfonylamino]prop-2-enoate
CID 134934643
methyl 5-[(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-2-methylbenzoate
CID 133202226
4-methoxy-N-(5-methyl-2,3-dihydro-1H-inden-1-yl)benzenesulfonamide
CID 154859038
ethyl 2-[(4-ethoxy-4-oxobutyl)-(4-methylphenyl)sulfonylamino]-4-methoxybenzoate
CID 10718923

Frequently Asked Questions

What is the IUPAC name of diethyl 7-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-2,3-dicarboxylate?
The IUPAC name of diethyl 7-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-2,3-dicarboxylate (CID 102467673) is diethyl 7-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-2,3-dicarboxylate.
What is the SMILES notation for diethyl 7-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-2,3-dicarboxylate?
The canonical SMILES for diethyl 7-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-2,3-dicarboxylate is CCOC(=O)C1=C(C(=O)OCC)C(NS(=O)(=O)c2ccc(C)cc2)c2ccc(OC)cc2O1.
What is the InChIKey of diethyl 7-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-2,3-dicarboxylate?
The InChIKey is SVRLTOICKIOQJA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25NO8S/c1-5-30-22(25)19-20(24-33(27,28)16-10-7-14(3)8-11-16)17-12-9-15(29-4)13-18(17)32-21(19)23(26)31-6-2/h7-13,20,24H,5-6H2,1-4H3.
What are the key properties of diethyl 7-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-2,3-dicarboxylate?
diethyl 7-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-2,3-dicarboxylate has a molecular weight of 475.52 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 7-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-2,3-dicarboxylate is sourced from PubChem (CID 102467673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).