(3,5-dimethoxyphenyl) 3-(diethylsulfamoyl)benzoate

C19H23NO6S — CID 8753259

IUPAC(3,5-dimethoxyphenyl) 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C19H23NO6S/c1-5-20(6-2)27(22,23)18-9-7-8-14(10-18)19(21)26-17-12-15(24-3)11-16(13-17)25-4/h7-13H,5-6H2,1-4H3
InChIKeySUHRRESQRXNXPF-UHFFFAOYSA-N
MW393.46 g/mol
LogP2.95
Rot. Bonds8

About (3,5-dimethoxyphenyl) 3-(diethylsulfamoyl)benzoate

(3,5-dimethoxyphenyl) 3-(diethylsulfamoyl)benzoate (PubChem CID 8753259) has the molecular formula C19H23NO6S and a molecular weight of 393.46 g/mol. Its IUPAC name is (3,5-dimethoxyphenyl) 3-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(3,5-dimethoxyphenyl) 3-(diethylsulfamoyl)benzoate
PubChem CID8753259
Molecular FormulaC19H23NO6S
Molecular Weight393.46 g/mol
Exact Mass393.12
IUPAC Name(3,5-dimethoxyphenyl) 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2cc(OC)cc(OC)c2)c1
InChIInChI=1S/C19H23NO6S/c1-5-20(6-2)27(22,23)18-9-7-8-14(10-18)19(21)26-17-12-15(24-3)11-16(13-17)25-4/h7-13H,5-6H2,1-4H3
InChIKeySUHRRESQRXNXPF-UHFFFAOYSA-N
XLogP2.95
TPSA82.14 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.46
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(4-methoxycarbonylphenyl) 3-(diethylsulfamoyl)benzoate
CID 2678014
[3-[(3-methoxybenzoyl)amino]phenyl] 3-(diethylsulfamoyl)benzoate
CID 1250260
[4-(4-fluorobenzoyl)phenyl] 3-(diethylsulfamoyl)benzoate
CID 2713487
2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
CID 4188820
propyl 3-(diethylsulfamoyl)benzoate
CID 78907711
2-[ethyl-(3-methoxycarbonylphenyl)sulfonylamino]acetic acid
CID 61012663
methyl 3-[benzyl(ethyl)sulfamoyl]benzoate
CID 31701224
cyanomethyl 3-(diethylsulfamoyl)benzoate
CID 2505913
methyl 3-[ethyl-(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 79378658
3-(diethylsulfamoyl)benzoyl chloride
CID 7730328
[4-(1,3,4-oxadiazol-2-yl)phenyl] 3-(diethylsulfamoyl)benzoate
CID 16551650
[2-[(4-methoxyphenyl)methylamino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2506159

Frequently Asked Questions

What is the IUPAC name of (3,5-dimethoxyphenyl) 3-(diethylsulfamoyl)benzoate?
The IUPAC name of (3,5-dimethoxyphenyl) 3-(diethylsulfamoyl)benzoate (CID 8753259) is (3,5-dimethoxyphenyl) 3-(diethylsulfamoyl)benzoate.
What is the SMILES notation for (3,5-dimethoxyphenyl) 3-(diethylsulfamoyl)benzoate?
The canonical SMILES for (3,5-dimethoxyphenyl) 3-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1cccc(C(=O)Oc2cc(OC)cc(OC)c2)c1.
What is the InChIKey of (3,5-dimethoxyphenyl) 3-(diethylsulfamoyl)benzoate?
The InChIKey is SUHRRESQRXNXPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO6S/c1-5-20(6-2)27(22,23)18-9-7-8-14(10-18)19(21)26-17-12-15(24-3)11-16(13-17)25-4/h7-13H,5-6H2,1-4H3.
What are the key properties of (3,5-dimethoxyphenyl) 3-(diethylsulfamoyl)benzoate?
(3,5-dimethoxyphenyl) 3-(diethylsulfamoyl)benzoate has a molecular weight of 393.46 g/mol, XLogP of 2.95, 8 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dimethoxyphenyl) 3-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 8753259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).