[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate

C23H26ClFN2O5S — CID 2360391

IUPAC[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate
SMILESCN(C(=O)COC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl)C1CCCCC1
InChIInChI=1S/C23H26ClFN2O5S/c1-26(17-6-4-3-5-7-17)22(28)15-32-23(29)20-14-19(12-13-21(20)24)33(30,31)27(2)18-10-8-16(25)9-11-18/h8-14,17H,3-7,15H2,1-2H3
InChIKeyJUOJWZHPGXJGGK-UHFFFAOYSA-N
MW496.99 g/mol
LogP4.25
Rot. Bonds7

About [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate

[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate (PubChem CID 2360391) has the molecular formula C23H26ClFN2O5S and a molecular weight of 496.99 g/mol. Its IUPAC name is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate.

Molecular Properties

Compound Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate
PubChem CID2360391
Molecular FormulaC23H26ClFN2O5S
Molecular Weight496.99 g/mol
Exact Mass496.12
IUPAC Name[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate
SMILESCN(C(=O)COC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl)C1CCCCC1
InChIInChI=1S/C23H26ClFN2O5S/c1-26(17-6-4-3-5-7-17)22(28)15-32-23(29)20-14-19(12-13-21(20)24)33(30,31)27(2)18-10-8-16(25)9-11-18/h8-14,17H,3-7,15H2,1-2H3
InChIKeyJUOJWZHPGXJGGK-UHFFFAOYSA-N
XLogP4.25
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.99
LogP ≤ 54.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate?
The IUPAC name of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate (CID 2360391) is [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate.
What is the SMILES notation for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate?
The canonical SMILES for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate is CN(C(=O)COC(=O)c1cc(S(=O)(=O)N(C)c2ccc(F)cc2)ccc1Cl)C1CCCCC1.
What is the InChIKey of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate?
The InChIKey is JUOJWZHPGXJGGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClFN2O5S/c1-26(17-6-4-3-5-7-17)22(28)15-32-23(29)20-14-19(12-13-21(20)24)33(30,31)27(2)18-10-8-16(25)9-11-18/h8-14,17H,3-7,15H2,1-2H3.
What are the key properties of [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate?
[2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate has a molecular weight of 496.99 g/mol, XLogP of 4.25, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[cyclohexyl(methyl)amino]-2-oxoethyl] 2-chloro-5-[(4-fluorophenyl)-methylsulfamoyl]benzoate is sourced from PubChem (CID 2360391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).