benzyl 3-(diethylsulfamoyl)benzoate

C18H21NO4S — CID 7970190

IUPACbenzyl 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2ccccc2)c1
InChIInChI=1S/C18H21NO4S/c1-3-19(4-2)24(21,22)17-12-8-11-16(13-17)18(20)23-14-15-9-6-5-7-10-15/h5-13H,3-4,14H2,1-2H3
InChIKeyCDKCEDBYOOOMLX-UHFFFAOYSA-N
MW347.44 g/mol
LogP3.07
Rot. Bonds7

About benzyl 3-(diethylsulfamoyl)benzoate

benzyl 3-(diethylsulfamoyl)benzoate (PubChem CID 7970190) has the molecular formula C18H21NO4S and a molecular weight of 347.44 g/mol. Its IUPAC name is benzyl 3-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Namebenzyl 3-(diethylsulfamoyl)benzoate
PubChem CID7970190
Molecular FormulaC18H21NO4S
Molecular Weight347.44 g/mol
Exact Mass347.12
IUPAC Namebenzyl 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2ccccc2)c1
InChIInChI=1S/C18H21NO4S/c1-3-19(4-2)24(21,22)17-12-8-11-16(13-17)18(20)23-14-15-9-6-5-7-10-15/h5-13H,3-4,14H2,1-2H3
InChIKeyCDKCEDBYOOOMLX-UHFFFAOYSA-N
XLogP3.07
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
CID 4188820
(2-methylphenyl)methyl 3-(diethylsulfamoyl)benzoate
CID 7970187
methyl 3-[benzyl(ethyl)sulfamoyl]benzoate
CID 31701224
propyl 3-(diethylsulfamoyl)benzoate
CID 78907711
methyl 3-[[4-(diethylsulfamoyl)benzoyl]oxymethyl]benzoate
CID 8705374
cyanomethyl 3-(diethylsulfamoyl)benzoate
CID 2505913
N,N-diethyl-3-[[(3-phenylmethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 26654618
(4-methylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577471
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2505781
(4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-(diethylsulfamoyl)benzoate
CID 47821720
2-[ethyl-(3-methoxycarbonylphenyl)sulfonylamino]acetic acid
CID 61012663
(4-phenylphenyl)methyl 3-methylsulfonylbenzoate
CID 18155710

Frequently Asked Questions

What is the IUPAC name of benzyl 3-(diethylsulfamoyl)benzoate?
The IUPAC name of benzyl 3-(diethylsulfamoyl)benzoate (CID 7970190) is benzyl 3-(diethylsulfamoyl)benzoate.
What is the SMILES notation for benzyl 3-(diethylsulfamoyl)benzoate?
The canonical SMILES for benzyl 3-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2ccccc2)c1.
What is the InChIKey of benzyl 3-(diethylsulfamoyl)benzoate?
The InChIKey is CDKCEDBYOOOMLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO4S/c1-3-19(4-2)24(21,22)17-12-8-11-16(13-17)18(20)23-14-15-9-6-5-7-10-15/h5-13H,3-4,14H2,1-2H3.
What are the key properties of benzyl 3-(diethylsulfamoyl)benzoate?
benzyl 3-(diethylsulfamoyl)benzoate has a molecular weight of 347.44 g/mol, XLogP of 3.07, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for benzyl 3-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 7970190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).