2-chloroprop-2-enyl 4-chloro-3-(methylsulfamoyl)benzoate

C11H11Cl2NO4S — CID 27027293

IUPAC2-chloroprop-2-enyl 4-chloro-3-(methylsulfamoyl)benzoate
SMILESC=C(Cl)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1
InChIInChI=1S/C11H11Cl2NO4S/c1-7(12)6-18-11(15)8-3-4-9(13)10(5-8)19(16,17)14-2/h3-5,14H,1,6H2,2H3
InChIKeyDRKYRJASMIOLOD-UHFFFAOYSA-N
MW324.19 g/mol
LogP2.16
Rot. Bonds5

About 2-chloroprop-2-enyl 4-chloro-3-(methylsulfamoyl)benzoate

2-chloroprop-2-enyl 4-chloro-3-(methylsulfamoyl)benzoate (PubChem CID 27027293) has the molecular formula C11H11Cl2NO4S and a molecular weight of 324.19 g/mol. Its IUPAC name is 2-chloroprop-2-enyl 4-chloro-3-(methylsulfamoyl)benzoate.

Molecular Properties

Compound Name2-chloroprop-2-enyl 4-chloro-3-(methylsulfamoyl)benzoate
PubChem CID27027293
Molecular FormulaC11H11Cl2NO4S
Molecular Weight324.19 g/mol
Exact Mass322.98
IUPAC Name2-chloroprop-2-enyl 4-chloro-3-(methylsulfamoyl)benzoate
SMILESC=C(Cl)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1
InChIInChI=1S/C11H11Cl2NO4S/c1-7(12)6-18-11(15)8-3-4-9(13)10(5-8)19(16,17)14-2/h3-5,14H,1,6H2,2H3
InChIKeyDRKYRJASMIOLOD-UHFFFAOYSA-N
XLogP2.16
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.19
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[2-(methylamino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823641
phenacyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823753
[2-oxo-2-(4-propan-2-ylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823745
cyanomethyl 4-chloro-3-(methylsulfamoyl)benzoate
CID 9331722
(2-anilino-2-oxoethyl) 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823722
[2-oxo-2-(4-propylphenyl)ethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823612
[2-[(3R,5R)-3,5-dimethylpiperidin-1-yl]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823706
[2-(2,5-dimethylphenyl)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823626
[2-(4-fluoroanilino)-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 7823723
[2-[butyl(methyl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 9332349
4-chloro-N-methyl-3-(methylsulfamoyl)benzamide
CID 19394
[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl] 4-chloro-3-(methylsulfamoyl)benzoate
CID 16600981

Frequently Asked Questions

What is the IUPAC name of 2-chloroprop-2-enyl 4-chloro-3-(methylsulfamoyl)benzoate?
The IUPAC name of 2-chloroprop-2-enyl 4-chloro-3-(methylsulfamoyl)benzoate (CID 27027293) is 2-chloroprop-2-enyl 4-chloro-3-(methylsulfamoyl)benzoate.
What is the SMILES notation for 2-chloroprop-2-enyl 4-chloro-3-(methylsulfamoyl)benzoate?
The canonical SMILES for 2-chloroprop-2-enyl 4-chloro-3-(methylsulfamoyl)benzoate is C=C(Cl)COC(=O)c1ccc(Cl)c(S(=O)(=O)NC)c1.
What is the InChIKey of 2-chloroprop-2-enyl 4-chloro-3-(methylsulfamoyl)benzoate?
The InChIKey is DRKYRJASMIOLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11Cl2NO4S/c1-7(12)6-18-11(15)8-3-4-9(13)10(5-8)19(16,17)14-2/h3-5,14H,1,6H2,2H3.
What are the key properties of 2-chloroprop-2-enyl 4-chloro-3-(methylsulfamoyl)benzoate?
2-chloroprop-2-enyl 4-chloro-3-(methylsulfamoyl)benzoate has a molecular weight of 324.19 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloroprop-2-enyl 4-chloro-3-(methylsulfamoyl)benzoate is sourced from PubChem (CID 27027293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).