(4-carbamoylphenyl)methyl 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate

C22H19ClN2O5S — CID 27347939

IUPAC(4-carbamoylphenyl)methyl 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)OCc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C22H19ClN2O5S/c1-25(19-6-3-5-18(23)13-19)31(28,29)20-7-2-4-17(12-20)22(27)30-14-15-8-10-16(11-9-15)21(24)26/h2-13H,14H2,1H3,(H2,24,26)
InChIKeyMEGGYDUGDSPKEZ-UHFFFAOYSA-N
MW458.92 g/mol
LogP3.62
Rot. Bonds7

About (4-carbamoylphenyl)methyl 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate

(4-carbamoylphenyl)methyl 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate (PubChem CID 27347939) has the molecular formula C22H19ClN2O5S and a molecular weight of 458.92 g/mol. Its IUPAC name is (4-carbamoylphenyl)methyl 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate.

Molecular Properties

Compound Name(4-carbamoylphenyl)methyl 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
PubChem CID27347939
Molecular FormulaC22H19ClN2O5S
Molecular Weight458.92 g/mol
Exact Mass458.07
IUPAC Name(4-carbamoylphenyl)methyl 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
SMILESCN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)OCc2ccc(C(N)=O)cc2)c1
InChIInChI=1S/C22H19ClN2O5S/c1-25(19-6-3-5-18(23)13-19)31(28,29)20-7-2-4-17(12-20)22(27)30-14-15-8-10-16(11-9-15)21(24)26/h2-13H,14H2,1H3,(H2,24,26)
InChIKeyMEGGYDUGDSPKEZ-UHFFFAOYSA-N
XLogP3.62
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.92
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(4-methylphenyl)methyl 3-[methyl(phenyl)sulfamoyl]benzoate
CID 2577471
[2-oxo-2-(propylamino)ethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 16535046
3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 2345454
[2-(4-methylanilino)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 42965242
[2-(2-methoxyphenyl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 16535037
(4-carbamoylphenyl)methyl 3-[(4-chlorophenyl)sulfamoyl]benzoate
CID 43039119
3-[(3-chlorophenyl)-methylsulfamoyl]-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 55575626
[2-(2,5-difluoroanilino)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 29155226
3-[methyl(phenyl)sulfamoyl]benzamide
CID 47102696
(6-chloro-3-pyridinyl)methyl 3-[(4-methoxyphenyl)-methylsulfamoyl]benzoate
CID 31048298
[2-(2-ethylpiperidin-1-yl)-2-oxoethyl] 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate
CID 55318010
3-[(3-chlorophenyl)-methylsulfamoyl]-N-(2-methoxyethyl)benzamide
CID 27659280

Frequently Asked Questions

What is the IUPAC name of (4-carbamoylphenyl)methyl 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate?
The IUPAC name of (4-carbamoylphenyl)methyl 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate (CID 27347939) is (4-carbamoylphenyl)methyl 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate.
What is the SMILES notation for (4-carbamoylphenyl)methyl 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate?
The canonical SMILES for (4-carbamoylphenyl)methyl 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate is CN(c1cccc(Cl)c1)S(=O)(=O)c1cccc(C(=O)OCc2ccc(C(N)=O)cc2)c1.
What is the InChIKey of (4-carbamoylphenyl)methyl 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate?
The InChIKey is MEGGYDUGDSPKEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19ClN2O5S/c1-25(19-6-3-5-18(23)13-19)31(28,29)20-7-2-4-17(12-20)22(27)30-14-15-8-10-16(11-9-15)21(24)26/h2-13H,14H2,1H3,(H2,24,26).
What are the key properties of (4-carbamoylphenyl)methyl 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate?
(4-carbamoylphenyl)methyl 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate has a molecular weight of 458.92 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-carbamoylphenyl)methyl 3-[(3-chlorophenyl)-methylsulfamoyl]benzoate is sourced from PubChem (CID 27347939), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).