methyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate

C19H24N2O6S2 — CID 24510131

IUPACmethyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C19H24N2O6S2/c1-5-21(6-2)29(25,26)17-10-7-14(3)18(13-17)20-28(23,24)16-11-8-15(9-12-16)19(22)27-4/h7-13,20H,5-6H2,1-4H3
InChIKeyLNJFPZGZSKHQOB-UHFFFAOYSA-N
MW440.54 g/mol
LogP2.61
Rot. Bonds8

About methyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate

methyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate (PubChem CID 24510131) has the molecular formula C19H24N2O6S2 and a molecular weight of 440.54 g/mol. Its IUPAC name is methyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate.

Molecular Properties

Compound Namemethyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate
PubChem CID24510131
Molecular FormulaC19H24N2O6S2
Molecular Weight440.54 g/mol
Exact Mass440.11
IUPAC Namemethyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C(=O)OC)cc2)c1
InChIInChI=1S/C19H24N2O6S2/c1-5-21(6-2)29(25,26)17-10-7-14(3)18(13-17)20-28(23,24)16-11-8-15(9-12-16)19(22)27-4/h7-13,20H,5-6H2,1-4H3
InChIKeyLNJFPZGZSKHQOB-UHFFFAOYSA-N
XLogP2.61
TPSA109.85 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.54
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(4-methoxycarbonylphenyl)sulfonylamino]-4-methylbenzoate
CID 24510050
methyl 3-[[4-(diethylsulfamoyl)benzoyl]amino]-4-methylbenzoate
CID 2673338
methyl 3-[[2-[5-(diethylsulfamoyl)-2-methylanilino]acetyl]amino]-4-methylbenzoate
CID 17392379
methyl 4-[[5-[(4-methoxyphenyl)sulfamoyl]-2-methylphenyl]sulfamoyl]benzoate
CID 24510176
methyl 3-[(4-fluorophenyl)sulfonylamino]-4-methylbenzoate
CID 807062
N,N-diethyl-3-(methanesulfonamido)-4-methylbenzenesulfonamide
CID 167869389
methyl 4-methyl-3-[(4-pentylphenyl)sulfonylamino]benzoate
CID 3759462
[2-[5-(diethylsulfamoyl)-2-methylanilino]-2-oxoethyl] 4-methylbenzoate
CID 7971596
N-[5-(diethylsulfamoyl)-2-methylphenyl]-2,3,5,6-tetramethylbenzenesulfonamide
CID 5181058
methyl 3-[(4-fluoro-3-methylphenyl)sulfonylamino]-4-methylbenzoate
CID 99816310
methyl 3-[(4-bromo-3-methylphenyl)sulfonylamino]-4-methylbenzoate
CID 2696840
methyl 4-[[5-(diethylsulfamoyl)-2-pyrrolidin-1-ylphenyl]carbamoyl]benzoate
CID 26880898

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate?
The IUPAC name of methyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate (CID 24510131) is methyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate.
What is the SMILES notation for methyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate?
The canonical SMILES for methyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate is CCN(CC)S(=O)(=O)c1ccc(C)c(NS(=O)(=O)c2ccc(C(=O)OC)cc2)c1.
What is the InChIKey of methyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate?
The InChIKey is LNJFPZGZSKHQOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O6S2/c1-5-21(6-2)29(25,26)17-10-7-14(3)18(13-17)20-28(23,24)16-11-8-15(9-12-16)19(22)27-4/h7-13,20H,5-6H2,1-4H3.
What are the key properties of methyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate?
methyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate has a molecular weight of 440.54 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]benzoate is sourced from PubChem (CID 24510131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).