[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-[(4-methylphenyl)sulfamoyl]benzoate

C21H22N2O7S2 — CID 55733821

IUPAC[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-[(4-methylphenyl)sulfamoyl]benzoate
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)OCc3ccc(S(=O)(=O)N(C)C)o3)cc2)cc1
InChIInChI=1S/C21H22N2O7S2/c1-15-4-8-17(9-5-15)22-31(25,26)19-11-6-16(7-12-19)21(24)29-14-18-10-13-20(30-18)32(27,28)23(2)3/h4-13,22H,14H2,1-3H3
InChIKeyYYORNICWDRYIRE-UHFFFAOYSA-N
MW478.55 g/mol
LogP3.00
Rot. Bonds8

About [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-[(4-methylphenyl)sulfamoyl]benzoate

[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-[(4-methylphenyl)sulfamoyl]benzoate (PubChem CID 55733821) has the molecular formula C21H22N2O7S2 and a molecular weight of 478.55 g/mol. Its IUPAC name is [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-[(4-methylphenyl)sulfamoyl]benzoate.

Molecular Properties

Compound Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-[(4-methylphenyl)sulfamoyl]benzoate
PubChem CID55733821
Molecular FormulaC21H22N2O7S2
Molecular Weight478.55 g/mol
Exact Mass478.09
IUPAC Name[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-[(4-methylphenyl)sulfamoyl]benzoate
SMILESCc1ccc(NS(=O)(=O)c2ccc(C(=O)OCc3ccc(S(=O)(=O)N(C)C)o3)cc2)cc1
InChIInChI=1S/C21H22N2O7S2/c1-15-4-8-17(9-5-15)22-31(25,26)19-11-6-16(7-12-19)21(24)29-14-18-10-13-20(30-18)32(27,28)23(2)3/h4-13,22H,14H2,1-3H3
InChIKeyYYORNICWDRYIRE-UHFFFAOYSA-N
XLogP3.00
TPSA122.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.55
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-(methylsulfonylmethyl)benzoate
CID 55730894
ethyl 4-[4-[(4-methylphenyl)sulfonylamino]phenyl]benzoate
CID 169371543
(2-amino-2-oxoethyl) 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2511957
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate
CID 55730900
[5-(dimethylsulfamoyl)furan-2-yl]methyl 3,5-difluorobenzoate
CID 55730540
[5-(dimethylsulfamoyl)furan-2-yl]methyl 5-(ethylsulfamoyl)-2-methylbenzoate
CID 55730896
(7-methyl-2-oxochromen-4-yl)methyl 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 3662243
phenacyl 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 46675318
N-methyl-N-[(5-methylfuran-2-yl)methyl]-4-[(4-methylphenyl)sulfamoyl]benzamide
CID 4807463
(3-methyl-1,2-oxazol-5-yl)methyl 4-[(4-bromophenyl)sulfonylamino]benzoate
CID 35513152
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-methyl-3-piperidin-1-ylsulfonylbenzoate
CID 55730756
[2-[benzyl(methyl)amino]-2-oxoethyl] 4-[(4-methylphenyl)sulfamoyl]benzoate
CID 2511993

Frequently Asked Questions

What is the IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-[(4-methylphenyl)sulfamoyl]benzoate?
The IUPAC name of [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-[(4-methylphenyl)sulfamoyl]benzoate (CID 55733821) is [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-[(4-methylphenyl)sulfamoyl]benzoate.
What is the SMILES notation for [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-[(4-methylphenyl)sulfamoyl]benzoate?
The canonical SMILES for [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-[(4-methylphenyl)sulfamoyl]benzoate is Cc1ccc(NS(=O)(=O)c2ccc(C(=O)OCc3ccc(S(=O)(=O)N(C)C)o3)cc2)cc1.
What is the InChIKey of [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-[(4-methylphenyl)sulfamoyl]benzoate?
The InChIKey is YYORNICWDRYIRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O7S2/c1-15-4-8-17(9-5-15)22-31(25,26)19-11-6-16(7-12-19)21(24)29-14-18-10-13-20(30-18)32(27,28)23(2)3/h4-13,22H,14H2,1-3H3.
What are the key properties of [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-[(4-methylphenyl)sulfamoyl]benzoate?
[5-(dimethylsulfamoyl)furan-2-yl]methyl 4-[(4-methylphenyl)sulfamoyl]benzoate has a molecular weight of 478.55 g/mol, XLogP of 3.00, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(dimethylsulfamoyl)furan-2-yl]methyl 4-[(4-methylphenyl)sulfamoyl]benzoate is sourced from PubChem (CID 55733821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).