[2-[2-chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate

C21H23ClN2O5S — CID 4151535

IUPAC[2-[2-chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)C2CC2C)c1
InChIInChI=1S/C21H23ClN2O5S/c1-3-24(15-7-5-4-6-8-15)30(27,28)16-9-10-18(22)19(12-16)23-20(25)13-29-21(26)17-11-14(17)2/h4-10,12,14,17H,3,11,13H2,1-2H3,(H,23,25)
InChIKeyRJHMMEFMWWQXGM-UHFFFAOYSA-N
MW450.94 g/mol
LogP3.69
Rot. Bonds8

About [2-[2-chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate

[2-[2-chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate (PubChem CID 4151535) has the molecular formula C21H23ClN2O5S and a molecular weight of 450.94 g/mol. Its IUPAC name is [2-[2-chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate.

Molecular Properties

Compound Name[2-[2-chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
PubChem CID4151535
Molecular FormulaC21H23ClN2O5S
Molecular Weight450.94 g/mol
Exact Mass450.10
IUPAC Name[2-[2-chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
SMILESCCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)C2CC2C)c1
InChIInChI=1S/C21H23ClN2O5S/c1-3-24(15-7-5-4-6-8-15)30(27,28)16-9-10-18(22)19(12-16)23-20(25)13-29-21(26)17-11-14(17)2/h4-10,12,14,17H,3,11,13H2,1-2H3,(H,23,25)
InChIKeyRJHMMEFMWWQXGM-UHFFFAOYSA-N
XLogP3.69
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.94
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-[2-Chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] propanoate
CID 5223314
2-[(4-Chlorophenyl)sulfonyl-methylamino]acetic acid (2-anilino-2-oxoethyl) ester
CID 2363156
[2-[2-Chloro-5-(diethylsulfamoyl)anilino]-2-oxoethyl] cyclohexanecarboxylate
CID 4414784
[2-[4-Chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate
CID 4645455
[2-(2-Chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 3-(benzenesulfonyl)propanoate
CID 24980391
[2-[2-Chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-cyclohexylpropanoate
CID 3629557
[2-(2-Chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] 2-methylcyclopropane-1-carboxylate
CID 4061691
[2-[4-Chloro-3-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-phenylpropanoate
CID 3565730
[2-(2-Chloro-5-morpholin-4-ylsulfonylanilino)-2-oxoethyl] 3-cyclopentylpropanoate
CID 3623640
[2-(2-Chloro-5-piperidin-1-ylsulfonylanilino)-2-oxoethyl] cyclobutanecarboxylate
CID 8019597
[2-(2-Chloroanilino)-2-oxoethyl] 3-[(4-methylphenyl)sulfonylamino]propanoate
CID 2098193
[2-[2-Chloro-5-(dimethylsulfamoyl)anilino]-2-oxoethyl] 3-phenylsulfanylpropanoate
CID 3462727

Frequently Asked Questions

What is the IUPAC name of [2-[2-chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The IUPAC name of [2-[2-chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate (CID 4151535) is [2-[2-chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate.
What is the SMILES notation for [2-[2-chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The canonical SMILES for [2-[2-chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate is CCN(c1ccccc1)S(=O)(=O)c1ccc(Cl)c(NC(=O)COC(=O)C2CC2C)c1.
What is the InChIKey of [2-[2-chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
The InChIKey is RJHMMEFMWWQXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23ClN2O5S/c1-3-24(15-7-5-4-6-8-15)30(27,28)16-9-10-18(22)19(12-16)23-20(25)13-29-21(26)17-11-14(17)2/h4-10,12,14,17H,3,11,13H2,1-2H3,(H,23,25).
What are the key properties of [2-[2-chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate?
[2-[2-chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate has a molecular weight of 450.94 g/mol, XLogP of 3.69, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[2-chloro-5-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] 2-methylcyclopropane-1-carboxylate is sourced from PubChem (CID 4151535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).