(2-methylphenyl)methyl 3-(diethylsulfamoyl)benzoate

C19H23NO4S — CID 7970187

IUPAC(2-methylphenyl)methyl 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2ccccc2C)c1
InChIInChI=1S/C19H23NO4S/c1-4-20(5-2)25(22,23)18-12-8-11-16(13-18)19(21)24-14-17-10-7-6-9-15(17)3/h6-13H,4-5,14H2,1-3H3
InChIKeyZGGZOXPYMKNEKG-UHFFFAOYSA-N
MW361.46 g/mol
LogP3.38
Rot. Bonds7

About (2-methylphenyl)methyl 3-(diethylsulfamoyl)benzoate

(2-methylphenyl)methyl 3-(diethylsulfamoyl)benzoate (PubChem CID 7970187) has the molecular formula C19H23NO4S and a molecular weight of 361.46 g/mol. Its IUPAC name is (2-methylphenyl)methyl 3-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name(2-methylphenyl)methyl 3-(diethylsulfamoyl)benzoate
PubChem CID7970187
Molecular FormulaC19H23NO4S
Molecular Weight361.46 g/mol
Exact Mass361.13
IUPAC Name(2-methylphenyl)methyl 3-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2ccccc2C)c1
InChIInChI=1S/C19H23NO4S/c1-4-20(5-2)25(22,23)18-12-8-11-16(13-18)19(21)24-14-17-10-7-6-9-15(17)3/h6-13H,4-5,14H2,1-3H3
InChIKeyZGGZOXPYMKNEKG-UHFFFAOYSA-N
XLogP3.38
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.46
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(2-methylphenyl)methyl 4-(diethylsulfamoyl)benzoate
CID 7784760
benzyl 3-(diethylsulfamoyl)benzoate
CID 7970190
2-[3-(diethylsulfamoyl)benzoyl]oxyethyl 3-(diethylsulfamoyl)benzoate
CID 4188820
propyl 3-(diethylsulfamoyl)benzoate
CID 78907711
(4,5-dimethyl-1,3-oxazol-2-yl)methyl 3-(diethylsulfamoyl)benzoate
CID 47821720
cyanomethyl 3-(diethylsulfamoyl)benzoate
CID 2505913
[2-[di(propan-2-yl)amino]-2-oxoethyl] 3-(diethylsulfamoyl)benzoate
CID 2505781
(2-methylphenyl)methyl 4-(dimethylsulfamoyl)benzoate
CID 7844428
(2-chlorophenyl)methyl 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2546066
(2-methylphenyl)methyl 3-(2,6-dimethylmorpholin-4-yl)sulfonylbenzoate
CID 16578208
(2-methylphenyl)methyl 3-[(2S,6S)-2,6-dimethylmorpholin-4-yl]sulfonylbenzoate
CID 8661132
ethyl 4-[[3-(diethylsulfamoyl)benzoyl]oxymethyl]-1,3-thiazole-2-carboxylate
CID 55648863

Frequently Asked Questions

What is the IUPAC name of (2-methylphenyl)methyl 3-(diethylsulfamoyl)benzoate?
The IUPAC name of (2-methylphenyl)methyl 3-(diethylsulfamoyl)benzoate (CID 7970187) is (2-methylphenyl)methyl 3-(diethylsulfamoyl)benzoate.
What is the SMILES notation for (2-methylphenyl)methyl 3-(diethylsulfamoyl)benzoate?
The canonical SMILES for (2-methylphenyl)methyl 3-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1cccc(C(=O)OCc2ccccc2C)c1.
What is the InChIKey of (2-methylphenyl)methyl 3-(diethylsulfamoyl)benzoate?
The InChIKey is ZGGZOXPYMKNEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23NO4S/c1-4-20(5-2)25(22,23)18-12-8-11-16(13-18)19(21)24-14-17-10-7-6-9-15(17)3/h6-13H,4-5,14H2,1-3H3.
What are the key properties of (2-methylphenyl)methyl 3-(diethylsulfamoyl)benzoate?
(2-methylphenyl)methyl 3-(diethylsulfamoyl)benzoate has a molecular weight of 361.46 g/mol, XLogP of 3.38, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylphenyl)methyl 3-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 7970187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).