(2,4-dichlorophenyl)methyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate

C23H21Cl2NO4S — CID 2385677

IUPAC(2,4-dichlorophenyl)methyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCc2ccc(Cl)cc2Cl)ccc1C
InChIInChI=1S/C23H21Cl2NO4S/c1-3-26(20-7-5-4-6-8-20)31(28,29)22-13-17(10-9-16(22)2)23(27)30-15-18-11-12-19(24)14-21(18)25/h4-14H,3,15H2,1-2H3
InChIKeyUUSPJHAGNCGBJU-UHFFFAOYSA-N
MW478.40 g/mol
LogP5.87
Rot. Bonds7

About (2,4-dichlorophenyl)methyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate

(2,4-dichlorophenyl)methyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate (PubChem CID 2385677) has the molecular formula C23H21Cl2NO4S and a molecular weight of 478.40 g/mol. Its IUPAC name is (2,4-dichlorophenyl)methyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate.

Molecular Properties

Compound Name(2,4-dichlorophenyl)methyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
PubChem CID2385677
Molecular FormulaC23H21Cl2NO4S
Molecular Weight478.40 g/mol
Exact Mass477.06
IUPAC Name(2,4-dichlorophenyl)methyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCc2ccc(Cl)cc2Cl)ccc1C
InChIInChI=1S/C23H21Cl2NO4S/c1-3-26(20-7-5-4-6-8-20)31(28,29)22-13-17(10-9-16(22)2)23(27)30-15-18-11-12-19(24)14-21(18)25/h4-14H,3,15H2,1-2H3
InChIKeyUUSPJHAGNCGBJU-UHFFFAOYSA-N
XLogP5.87
TPSA63.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.40
LogP ≤ 55.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(5-acetyl-2-methoxyphenyl)methyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 2609242
(2-chlorophenyl)methyl 3-(diethylsulfamoyl)-4-methylbenzoate
CID 2546066
[2-oxo-2-(2-phenylethylamino)ethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 2715153
[2-[[(2R)-butan-2-yl]amino]-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 2609248
[2-(2-methoxyphenyl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 16535076
[(1S)-1-cyanoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 2609331
3-[ethyl(phenyl)sulfamoyl]-4-methyl-N-propylbenzamide
CID 18104844
N-(2-chloro-4,6-dimethylphenyl)-3-[ethyl(phenyl)sulfamoyl]-4-methylbenzamide
CID 24687613
[2-(2,6-dimethylmorpholin-4-yl)-2-oxoethyl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 16535088
[(2S)-1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 2609316
[(2S)-1-(4-acetamidoanilino)-1-oxopropan-2-yl] 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 2404618
3-(2-oxo-3H-benzimidazol-1-yl)propyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate
CID 16535085

Frequently Asked Questions

What is the IUPAC name of (2,4-dichlorophenyl)methyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate?
The IUPAC name of (2,4-dichlorophenyl)methyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate (CID 2385677) is (2,4-dichlorophenyl)methyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate.
What is the SMILES notation for (2,4-dichlorophenyl)methyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate?
The canonical SMILES for (2,4-dichlorophenyl)methyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate is CCN(c1ccccc1)S(=O)(=O)c1cc(C(=O)OCc2ccc(Cl)cc2Cl)ccc1C.
What is the InChIKey of (2,4-dichlorophenyl)methyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate?
The InChIKey is UUSPJHAGNCGBJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21Cl2NO4S/c1-3-26(20-7-5-4-6-8-20)31(28,29)22-13-17(10-9-16(22)2)23(27)30-15-18-11-12-19(24)14-21(18)25/h4-14H,3,15H2,1-2H3.
What are the key properties of (2,4-dichlorophenyl)methyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate?
(2,4-dichlorophenyl)methyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate has a molecular weight of 478.40 g/mol, XLogP of 5.87, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,4-dichlorophenyl)methyl 3-[ethyl(phenyl)sulfamoyl]-4-methylbenzoate is sourced from PubChem (CID 2385677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).