2-oxopropyl 2-chloro-5-(methylsulfamoyl)benzoate

C11H12ClNO5S — CID 7975114

IUPAC2-oxopropyl 2-chloro-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(C)=O)c1
InChIInChI=1S/C11H12ClNO5S/c1-7(14)6-18-11(15)9-5-8(3-4-10(9)12)19(16,17)13-2/h3-5,13H,6H2,1-2H3
InChIKeyUHFSVYIKQHRPGU-UHFFFAOYSA-N
MW305.74 g/mol
LogP0.99
Rot. Bonds5

About 2-oxopropyl 2-chloro-5-(methylsulfamoyl)benzoate

2-oxopropyl 2-chloro-5-(methylsulfamoyl)benzoate (PubChem CID 7975114) has the molecular formula C11H12ClNO5S and a molecular weight of 305.74 g/mol. Its IUPAC name is 2-oxopropyl 2-chloro-5-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name2-oxopropyl 2-chloro-5-(methylsulfamoyl)benzoate
PubChem CID7975114
Molecular FormulaC11H12ClNO5S
Molecular Weight305.74 g/mol
Exact Mass305.01
IUPAC Name2-oxopropyl 2-chloro-5-(methylsulfamoyl)benzoate
SMILESCNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(C)=O)c1
InChIInChI=1S/C11H12ClNO5S/c1-7(14)6-18-11(15)9-5-8(3-4-10(9)12)19(16,17)13-2/h3-5,13H,6H2,1-2H3
InChIKeyUHFSVYIKQHRPGU-UHFFFAOYSA-N
XLogP0.99
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 50.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[2-oxo-2-(2,4,6-trimethylphenyl)ethyl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 7974872
[2-(4-fluorophenyl)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 7975123
[2-(3-methylbutylamino)-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 7974945
[2-[[(2S)-2-cyano-3-methylbutan-2-yl]amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 7974952
[2-oxo-2-[[(1S)-1-thiophen-2-ylethyl]amino]ethyl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 7974913
3-(4-fluorophenoxy)propyl 2-chloro-5-(methylsulfamoyl)benzoate
CID 43056408
[2-[[(1R)-1-cyano-1-cyclopropylethyl]amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 7975098
[2-[[4-(difluoromethoxy)benzoyl]amino]-2-oxoethyl] 2-chloro-5-(methylsulfamoyl)benzoate
CID 30327868
3-(2-bromoacetyl)-4-chloro-N-methylbenzenesulfonamide
CID 20527440
[2-(methylamino)-2-oxoethyl] 5-[(4-bromophenyl)sulfamoyl]-2-chlorobenzoate
CID 42963968
(4-chlorophenyl)methyl 2-fluoro-5-(methylsulfamoyl)benzoate
CID 18125487
[2-(methoxycarbonylamino)-2-oxoethyl] 2-chloro-5-methylsulfonylbenzoate
CID 7725690

Frequently Asked Questions

What is the IUPAC name of 2-oxopropyl 2-chloro-5-(methylsulfamoyl)benzoate?
The IUPAC name of 2-oxopropyl 2-chloro-5-(methylsulfamoyl)benzoate (CID 7975114) is 2-oxopropyl 2-chloro-5-(methylsulfamoyl)benzoate.
What is the SMILES notation for 2-oxopropyl 2-chloro-5-(methylsulfamoyl)benzoate?
The canonical SMILES for 2-oxopropyl 2-chloro-5-(methylsulfamoyl)benzoate is CNS(=O)(=O)c1ccc(Cl)c(C(=O)OCC(C)=O)c1.
What is the InChIKey of 2-oxopropyl 2-chloro-5-(methylsulfamoyl)benzoate?
The InChIKey is UHFSVYIKQHRPGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO5S/c1-7(14)6-18-11(15)9-5-8(3-4-10(9)12)19(16,17)13-2/h3-5,13H,6H2,1-2H3.
What are the key properties of 2-oxopropyl 2-chloro-5-(methylsulfamoyl)benzoate?
2-oxopropyl 2-chloro-5-(methylsulfamoyl)benzoate has a molecular weight of 305.74 g/mol, XLogP of 0.99, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxopropyl 2-chloro-5-(methylsulfamoyl)benzoate is sourced from PubChem (CID 7975114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).