phenacyl 4-chloro-3-(methylsulfamoyl)benzoate

C16H14ClNO5S — CID 7823753

IUPACphenacyl 4-chloro-3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C16H14ClNO5S/c1-18-24(21,22)15-9-12(7-8-13(15)17)16(20)23-10-14(19)11-5-3-2-4-6-11/h2-9,18H,10H2,1H3
InChIKeyGNEAQOGJDCWAFC-UHFFFAOYSA-N
MW367.81 g/mol
LogP2.29
Rot. Bonds6

About phenacyl 4-chloro-3-(methylsulfamoyl)benzoate

phenacyl 4-chloro-3-(methylsulfamoyl)benzoate (PubChem CID 7823753) has the molecular formula C16H14ClNO5S and a molecular weight of 367.81 g/mol. Its IUPAC name is phenacyl 4-chloro-3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Namephenacyl 4-chloro-3-(methylsulfamoyl)benzoate
PubChem CID7823753
Molecular FormulaC16H14ClNO5S
Molecular Weight367.81 g/mol
Exact Mass367.03
IUPAC Namephenacyl 4-chloro-3-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccccc2)ccc1Cl
InChIInChI=1S/C16H14ClNO5S/c1-18-24(21,22)15-9-12(7-8-13(15)17)16(20)23-10-14(19)11-5-3-2-4-6-11/h2-9,18H,10H2,1H3
InChIKeyGNEAQOGJDCWAFC-UHFFFAOYSA-N
XLogP2.29
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.81
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823745
[2-oxo-2-(4-propylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823612
(2-anilino-2-oxoethyl) 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823722
[2-(methylamino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823641
2-chloroprop-2-enyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 27027293
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823626
[2-oxo-2-(4-phenylphenyl)ethyl] 4-chloro-3-sulfamoylbenzoate
CID 16568827
cyanomethyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 9331722
[2-(4-benzamidophenyl)-2-oxoethyl] 4-chloro-3-sulfamoylbenzoate
CID 16569415
[2-(2-acetylanilino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 30104288
[2-(3-chlorophenyl)-2-oxoethyl] 4-chloro-3-[(2,5-dichlorophenyl)sulfamoyl]benzoate
CID 25039534
[2-(2-chlorophenyl)-2-oxoethyl] 3-(benzylsulfamoyl)-4-chlorobenzoate
CID 2383122

Frequently Asked Questions

What is the IUPAC name of phenacyl 4-chloro-3-(methylsulfamoyl)benzoate?
The IUPAC name of phenacyl 4-chloro-3-(methylsulfamoyl)benzoate (CID 7823753) is phenacyl 4-chloro-3-(methylsulfamoyl)benzoate.
What is the SMILES notation for phenacyl 4-chloro-3-(methylsulfamoyl)benzoate?
The canonical SMILES for phenacyl 4-chloro-3-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1cc(C(=O)OCC(=O)c2ccccc2)ccc1Cl.
What is the InChIKey of phenacyl 4-chloro-3-(methylsulfamoyl)benzoate?
The InChIKey is GNEAQOGJDCWAFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14ClNO5S/c1-18-24(21,22)15-9-12(7-8-13(15)17)16(20)23-10-14(19)11-5-3-2-4-6-11/h2-9,18H,10H2,1H3.
What are the key properties of phenacyl 4-chloro-3-(methylsulfamoyl)benzoate?
phenacyl 4-chloro-3-(methylsulfamoyl)benzoate has a molecular weight of 367.81 g/mol, XLogP of 2.29, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for phenacyl 4-chloro-3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 7823753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).