[2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate

C20H21ClN2O5S — CID 4645455

IUPAC[2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)COC(=O)C2CC2)ccc1Cl
InChIInChI=1S/C20H21ClN2O5S/c1-2-23(16-6-4-3-5-7-16)29(26,27)18-12-15(10-11-17(18)21)22-19(24)13-28-20(25)14-8-9-14/h3-7,10-12,14H,2,8-9,13H2,1H3,(H,22,24)
InChIKeyCHHHAIMCTYNGCK-UHFFFAOYSA-N
MW436.92 g/mol
LogP3.45
Rot. Bonds8

About [2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate

[2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate (PubChem CID 4645455) has the molecular formula C20H21ClN2O5S and a molecular weight of 436.92 g/mol. Its IUPAC name is [2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate.

Molecular Properties

Compound Name[2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate
PubChem CID4645455
Molecular FormulaC20H21ClN2O5S
Molecular Weight436.92 g/mol
Exact Mass436.09
IUPAC Name[2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate
SMILESCCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)COC(=O)C2CC2)ccc1Cl
InChIInChI=1S/C20H21ClN2O5S/c1-2-23(16-6-4-3-5-7-16)29(26,27)18-12-15(10-11-17(18)21)22-19(24)13-28-20(25)14-8-9-14/h3-7,10-12,14H,2,8-9,13H2,1H3,(H,22,24)
InChIKeyCHHHAIMCTYNGCK-UHFFFAOYSA-N
XLogP3.45
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.92
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate?
The IUPAC name of [2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate (CID 4645455) is [2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate.
What is the SMILES notation for [2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate?
The canonical SMILES for [2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate is CCN(c1ccccc1)S(=O)(=O)c1cc(NC(=O)COC(=O)C2CC2)ccc1Cl.
What is the InChIKey of [2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate?
The InChIKey is CHHHAIMCTYNGCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN2O5S/c1-2-23(16-6-4-3-5-7-16)29(26,27)18-12-15(10-11-17(18)21)22-19(24)13-28-20(25)14-8-9-14/h3-7,10-12,14H,2,8-9,13H2,1H3,(H,22,24).
What are the key properties of [2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate?
[2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate has a molecular weight of 436.92 g/mol, XLogP of 3.45, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[4-chloro-3-[ethyl(phenyl)sulfamoyl]anilino]-2-oxoethyl] cyclopropanecarboxylate is sourced from PubChem (CID 4645455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).