2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate

C24H32N2O8S2 — CID 4188820

IUPAC2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)OCCOC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)c1
InChIInChI=1S/C24H32N2O8S2/c1-5-25(6-2)35(29,30)21-13-9-11-19(17-21)23(27)33-15-16-34-24(28)20-12-10-14-22(18-20)36(31,32)26(7-3)8-4/h9-14,17-18H,5-8,15-16H2,1-4H3
InChIKeyRGBSHMHAUSIRAD-UHFFFAOYSA-N
MW540.66 g/mol
LogP2.76
Rot. Bonds13

About 2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate

2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate (PubChem CID 4188820) has the molecular formula C24H32N2O8S2 and a molecular weight of 540.66 g/mol. Its IUPAC name is 2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
PubChem CID4188820
Molecular FormulaC24H32N2O8S2
Molecular Weight540.66 g/mol
Exact Mass540.16
IUPAC Name2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)OCCOC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)c1
InChIInChI=1S/C24H32N2O8S2/c1-5-25(6-2)35(29,30)21-13-9-11-19(17-21)23(27)33-15-16-34-24(28)20-12-10-14-22(18-20)36(31,32)26(7-3)8-4/h9-14,17-18H,5-8,15-16H2,1-4H3
InChIKeyRGBSHMHAUSIRAD-UHFFFAOYSA-N
XLogP2.76
TPSA127.36 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds13
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500540.66
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

propyl 3-(diethylsulfamoyl)benzoate
CID 78907711
2-(4-fluorophenoxy)ethyl 3-(diethylsulfamoyl)benzoate
CID 7970040
cyanomethyl 3-(diethylsulfamoyl)benzoate
CID 2505913
benzyl 3-(diethylsulfamoyl)benzoate
CID 7970190
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2505781
(2-methylphenyl)methyl 3-(diethylsulfamoyl)benzoate
CID 7970187
3-(diethylsulfamoyl)benzoyl chloride
CID 7730328
(3,5-dimethoxyphenyl) 3-(diethylsulfamoyl)benzoate
CID 8753259
2-benzoyloxyethyl 3-[methyl(propan-2-yl)sulfamoyl]benzoate
CID 30547919
2-[ethyl-(3-methoxycarbonylphenyl)sulfonylamino]acetic acid
CID 61012663
methyl 3-[benzyl(ethyl)sulfamoyl]benzoate
CID 31701224
[(1R)-1-cyanoethyl] 3-(diethylsulfamoyl)benzoate
CID 2505878

Frequently Asked Questions

What is the IUPAC name of 2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate?
The IUPAC name of 2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate (CID 4188820) is 2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate.
What is the SMILES notation for 2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate?
The canonical SMILES for 2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1cccc(C(=O)OCCOC(=O)c2cccc(S(=O)(=O)N(CC)CC)c2)c1.
What is the InChIKey of 2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate?
The InChIKey is RGBSHMHAUSIRAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O8S2/c1-5-25(6-2)35(29,30)21-13-9-11-19(17-21)23(27)33-15-16-34-24(28)20-12-10-14-22(18-20)36(31,32)26(7-3)8-4/h9-14,17-18H,5-8,15-16H2,1-4H3.
What are the key properties of 2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate?
2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate has a molecular weight of 540.66 g/mol, XLogP of 2.76, 13 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 4188820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).