methyl 6-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-3-carboxylate

C19H19NO6S — CID 102595137

IUPACmethyl 6-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-3-carboxylate
SMILESCOC(=O)C1=COc2ccc(OC)cc2C1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19NO6S/c1-12-4-7-14(8-5-12)27(22,23)20-18-15-10-13(24-2)6-9-17(15)26-11-16(18)19(21)25-3/h4-11,18,20H,1-3H3
InChIKeyWLZOJFWVSBRSNJ-UHFFFAOYSA-N
MW389.43 g/mol
LogP2.47
Rot. Bonds5

About methyl 6-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-3-carboxylate

methyl 6-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-3-carboxylate (PubChem CID 102595137) has the molecular formula C19H19NO6S and a molecular weight of 389.43 g/mol. Its IUPAC name is methyl 6-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-3-carboxylate.

Molecular Properties

Compound Namemethyl 6-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-3-carboxylate
PubChem CID102595137
Molecular FormulaC19H19NO6S
Molecular Weight389.43 g/mol
Exact Mass389.09
IUPAC Namemethyl 6-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-3-carboxylate
SMILESCOC(=O)C1=COc2ccc(OC)cc2C1NS(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C19H19NO6S/c1-12-4-7-14(8-5-12)27(22,23)20-18-15-10-13(24-2)6-9-17(15)26-11-16(18)19(21)25-3/h4-11,18,20H,1-3H3
InChIKeyWLZOJFWVSBRSNJ-UHFFFAOYSA-N
XLogP2.47
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.43
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

diethyl 7-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-2,3-dicarboxylate
CID 102467673
N-(3-methoxy-9H-xanthen-9-yl)-4-methylbenzenesulfonamide
CID 102105075
N-[(2S,4S)-4-(1-hydroxypropan-2-yl)-6-methoxy-1,2,3,4-tetrahydronaphthalen-2-yl]-4-methylbenzenesulfonamide
CID 175081802
methyl 4-[(4-methylphenyl)sulfonylamino]-2-(trifluoromethyl)-4H-chromene-3-carboxylate
CID 102299766
N-(5-methoxy-2-methylphenyl)-4-methylbenzenesulfonamide
CID 5146130
methyl 2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-3-carboxylate
CID 102299763
methyl 5-[(7-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)sulfamoyl]-2-methylbenzoate
CID 133202226
N-(2,5-dimethoxyphenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 21383211
N-[2-(4-methoxyanilino)cyclohexyl]-4-methylbenzenesulfonamide
CID 23604885
N-(5-methoxy-2-phenylphenyl)-4-methylbenzenesulfonamide
CID 169370137
6-methoxy-N-(6-methoxy-2,2-dimethyl-3,4-dihydrochromen-4-yl)naphthalene-2-sulfonamide
CID 133161889
N-(6-methoxy-3,4-dihydro-2H-chromen-3-yl)-3,5-dimethylbenzenesulfonamide
CID 53210049

Frequently Asked Questions

What is the IUPAC name of methyl 6-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-3-carboxylate?
The IUPAC name of methyl 6-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-3-carboxylate (CID 102595137) is methyl 6-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-3-carboxylate.
What is the SMILES notation for methyl 6-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-3-carboxylate?
The canonical SMILES for methyl 6-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-3-carboxylate is COC(=O)C1=COc2ccc(OC)cc2C1NS(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of methyl 6-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-3-carboxylate?
The InChIKey is WLZOJFWVSBRSNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO6S/c1-12-4-7-14(8-5-12)27(22,23)20-18-15-10-13(24-2)6-9-17(15)26-11-16(18)19(21)25-3/h4-11,18,20H,1-3H3.
What are the key properties of methyl 6-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-3-carboxylate?
methyl 6-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-3-carboxylate has a molecular weight of 389.43 g/mol, XLogP of 2.47, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-methoxy-4-[(4-methylphenyl)sulfonylamino]-4H-chromene-3-carboxylate is sourced from PubChem (CID 102595137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).