2-chloro-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid

C11H13ClN2O5S — CID 107089911

IUPAC2-chloro-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCN(C)C(=O)CNS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C11H13ClN2O5S/c1-14(2)10(15)6-13-20(18,19)7-3-4-8(11(16)17)9(12)5-7/h3-5,13H,6H2,1-2H3,(H,16,17)
InChIKeyUFGFXUYAKBKROP-UHFFFAOYSA-N
MW320.75 g/mol
LogP0.40
Rot. Bonds5

About 2-chloro-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid

2-chloro-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid (PubChem CID 107089911) has the molecular formula C11H13ClN2O5S and a molecular weight of 320.75 g/mol. Its IUPAC name is 2-chloro-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid.

Molecular Properties

Compound Name2-chloro-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
PubChem CID107089911
Molecular FormulaC11H13ClN2O5S
Molecular Weight320.75 g/mol
Exact Mass320.02
IUPAC Name2-chloro-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
SMILESCN(C)C(=O)CNS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1
InChIInChI=1S/C11H13ClN2O5S/c1-14(2)10(15)6-13-20(18,19)7-3-4-8(11(16)17)9(12)5-7/h3-5,13H,6H2,1-2H3,(H,16,17)
InChIKeyUFGFXUYAKBKROP-UHFFFAOYSA-N
XLogP0.40
TPSA103.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.75
LogP ≤ 50.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]-2-hydroxybenzoic acid
CID 43214507
2-chloro-4-(2-methylprop-2-enylsulfamoyl)benzoic acid
CID 107090333
2-chloro-4-(2-methylpropylsulfamoyl)benzoic acid
CID 113437740
2-chloro-4-[2-(dimethylamino)-2-oxoethyl]sulfonylbenzoic acid
CID 107090472
2-chloro-4-(2-methylsulfonylethylsulfamoyl)benzoic acid
CID 107089953
2-chloro-4-[4-(dimethylamino)-4-oxobutyl]sulfonylbenzoic acid
CID 107090368
4-[2-(carbamoylamino)ethylsulfamoyl]-2-chlorobenzoic acid
CID 107090234
2-chloro-4-(3-methoxypropylsulfamoyl)benzoic acid
CID 113437739
2-chloro-4-(3-methylsulfanylpropylsulfamoyl)benzoic acid
CID 107090098
2,5-dichloro-3-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid
CID 43514531
2-chloro-4-(2-ethylsulfinylethylsulfamoyl)benzoic acid
CID 107090287
2-chloro-4-(2-methylsulfinylpropylsulfamoyl)benzoic acid
CID 104656097

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The IUPAC name of 2-chloro-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid (CID 107089911) is 2-chloro-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid.
What is the SMILES notation for 2-chloro-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The canonical SMILES for 2-chloro-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid is CN(C)C(=O)CNS(=O)(=O)c1ccc(C(=O)O)c(Cl)c1.
What is the InChIKey of 2-chloro-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
The InChIKey is UFGFXUYAKBKROP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O5S/c1-14(2)10(15)6-13-20(18,19)7-3-4-8(11(16)17)9(12)5-7/h3-5,13H,6H2,1-2H3,(H,16,17).
What are the key properties of 2-chloro-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid?
2-chloro-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid has a molecular weight of 320.75 g/mol, XLogP of 0.40, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[2-(dimethylamino)-2-oxoethyl]sulfamoyl]benzoic acid is sourced from PubChem (CID 107089911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).