methyl 4-(2-chloroprop-2-enylsulfamoyl)benzoate

C11H12ClNO4S — CID 115638561

IUPACmethyl 4-(2-chloroprop-2-enylsulfamoyl)benzoate
SMILESC=C(Cl)CNS(=O)(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C11H12ClNO4S/c1-8(12)7-13-18(15,16)10-5-3-9(4-6-10)11(14)17-2/h3-6,13H,1,7H2,2H3
InChIKeyLTHWVLZHBUUXTA-UHFFFAOYSA-N
MW289.74 g/mol
LogP1.50
Rot. Bonds5

About methyl 4-(2-chloroprop-2-enylsulfamoyl)benzoate

methyl 4-(2-chloroprop-2-enylsulfamoyl)benzoate (PubChem CID 115638561) has the molecular formula C11H12ClNO4S and a molecular weight of 289.74 g/mol. Its IUPAC name is methyl 4-(2-chloroprop-2-enylsulfamoyl)benzoate.

Molecular Properties

Compound Namemethyl 4-(2-chloroprop-2-enylsulfamoyl)benzoate
PubChem CID115638561
Molecular FormulaC11H12ClNO4S
Molecular Weight289.74 g/mol
Exact Mass289.02
IUPAC Namemethyl 4-(2-chloroprop-2-enylsulfamoyl)benzoate
SMILESC=C(Cl)CNS(=O)(=O)c1ccc(C(=O)OC)cc1
InChIInChI=1S/C11H12ClNO4S/c1-8(12)7-13-18(15,16)10-5-3-9(4-6-10)11(14)17-2/h3-6,13H,1,7H2,2H3
InChIKeyLTHWVLZHBUUXTA-UHFFFAOYSA-N
XLogP1.50
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.74
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[(2-ethoxy-2-oxoethyl)sulfamoyl]benzoate
CID 60817086
methyl 4-(4-hydroxybutylsulfamoyl)benzoate
CID 106844012
methyl 4-[(2-hydroxy-2-methylpropyl)sulfamoyl]benzoate
CID 65113818
N-(2-chloroprop-2-enyl)-4-(2-methylpropyl)benzenesulfonamide
CID 115638682
methyl 4-[[2-[(4-methoxyphenyl)sulfonylamino]acetyl]amino]benzoate
CID 24639142
methyl 4-[[2-methyl-3-(methylamino)propyl]sulfamoyl]benzoate
CID 115302902
3-acetyl-N-(2-chloroprop-2-enyl)benzenesulfonamide
CID 115638669
methyl 4-[(2-hydroxy-4-methylpentyl)sulfamoyl]benzoate
CID 103834428
methyl 4-[(4-methoxyphenyl)methylsulfamoyl]benzoate
CID 26527056
methyl 4-[2-(3-hydroxypropylsulfanyl)ethylsulfamoyl]benzoate
CID 103834885
methyl 4-[(1-hydroxycyclopentyl)methylsulfamoyl]benzoate
CID 65112879
4-[(4-methoxycarbonylphenyl)sulfonylamino]-2-methylbutanoic acid
CID 80537799

Frequently Asked Questions

What is the IUPAC name of methyl 4-(2-chloroprop-2-enylsulfamoyl)benzoate?
The IUPAC name of methyl 4-(2-chloroprop-2-enylsulfamoyl)benzoate (CID 115638561) is methyl 4-(2-chloroprop-2-enylsulfamoyl)benzoate.
What is the SMILES notation for methyl 4-(2-chloroprop-2-enylsulfamoyl)benzoate?
The canonical SMILES for methyl 4-(2-chloroprop-2-enylsulfamoyl)benzoate is C=C(Cl)CNS(=O)(=O)c1ccc(C(=O)OC)cc1.
What is the InChIKey of methyl 4-(2-chloroprop-2-enylsulfamoyl)benzoate?
The InChIKey is LTHWVLZHBUUXTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClNO4S/c1-8(12)7-13-18(15,16)10-5-3-9(4-6-10)11(14)17-2/h3-6,13H,1,7H2,2H3.
What are the key properties of methyl 4-(2-chloroprop-2-enylsulfamoyl)benzoate?
methyl 4-(2-chloroprop-2-enylsulfamoyl)benzoate has a molecular weight of 289.74 g/mol, XLogP of 1.50, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-(2-chloroprop-2-enylsulfamoyl)benzoate is sourced from PubChem (CID 115638561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).