[1-(dimethylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate

C16H23ClN2O5S — CID 55390184

IUPAC[1-(dimethylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OC(C)C(=O)N(C)C)c1
InChIInChI=1S/C16H23ClN2O5S/c1-6-19(7-2)25(22,23)12-8-9-14(17)13(10-12)16(21)24-11(3)15(20)18(4)5/h8-11H,6-7H2,1-5H3
InChIKeyJIJXOWUHAXFOCI-UHFFFAOYSA-N
MW390.89 g/mol
LogP2.00
Rot. Bonds7

About [1-(dimethylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate

[1-(dimethylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate (PubChem CID 55390184) has the molecular formula C16H23ClN2O5S and a molecular weight of 390.89 g/mol. Its IUPAC name is [1-(dimethylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate.

Molecular Properties

Compound Name[1-(dimethylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate
PubChem CID55390184
Molecular FormulaC16H23ClN2O5S
Molecular Weight390.89 g/mol
Exact Mass390.10
IUPAC Name[1-(dimethylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate
SMILESCCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OC(C)C(=O)N(C)C)c1
InChIInChI=1S/C16H23ClN2O5S/c1-6-19(7-2)25(22,23)12-8-9-14(17)13(10-12)16(21)24-11(3)15(20)18(4)5/h8-11H,6-7H2,1-5H3
InChIKeyJIJXOWUHAXFOCI-UHFFFAOYSA-N
XLogP2.00
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.89
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[1-(carbamoylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 4542283
[(1S)-1-cyanoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2510116
1-phenylethyl 2-chloro-5-(diethylsulfamoyl)benzoate
CID 16521782
[2-(dimethylamino)-2-oxoethyl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 7981376
[1-(2-methylanilino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 6915026
[1-(2-acetylanilino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 46629476
[1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate
CID 16521809
[1-(4-chlorophenyl)-1-oxopropan-2-yl] 5-(diethylsulfamoyl)-2-fluorobenzoate
CID 16560508
2-chloro-5-(diethylsulfamoyl)benzoate
CID 4206054
phenyl 2-chloro-5-(diethylsulfamoyl)benzoate
CID 2668421
(4-chlorophenyl) 2-chloro-5-(diethylsulfamoyl)benzoate
CID 1330481
[(2R)-1-(4-ethoxyphenyl)-1-oxopropan-2-yl] 2-chloro-5-(dimethylsulfamoyl)benzoate
CID 2524474

Frequently Asked Questions

What is the IUPAC name of [1-(dimethylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate?
The IUPAC name of [1-(dimethylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate (CID 55390184) is [1-(dimethylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate.
What is the SMILES notation for [1-(dimethylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate?
The canonical SMILES for [1-(dimethylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate is CCN(CC)S(=O)(=O)c1ccc(Cl)c(C(=O)OC(C)C(=O)N(C)C)c1.
What is the InChIKey of [1-(dimethylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate?
The InChIKey is JIJXOWUHAXFOCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23ClN2O5S/c1-6-19(7-2)25(22,23)12-8-9-14(17)13(10-12)16(21)24-11(3)15(20)18(4)5/h8-11H,6-7H2,1-5H3.
What are the key properties of [1-(dimethylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate?
[1-(dimethylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate has a molecular weight of 390.89 g/mol, XLogP of 2.00, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(dimethylamino)-1-oxopropan-2-yl] 2-chloro-5-(diethylsulfamoyl)benzoate is sourced from PubChem (CID 55390184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).