2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid

C11H13ClN2O5S — CID 43697977

IUPAC2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid
SMILESCN(C)C(=O)c1ccc(Cl)cc1NS(=O)(=O)CC(=O)O
InChIInChI=1S/C11H13ClN2O5S/c1-14(2)11(17)8-4-3-7(12)5-9(8)13-20(18,19)6-10(15)16/h3-5,13H,6H2,1-2H3,(H,15,16)
InChIKeyDANZPRHCSWENOK-UHFFFAOYSA-N
MW320.75 g/mol
LogP0.87
Rot. Bonds5

About 2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid

2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid (PubChem CID 43697977) has the molecular formula C11H13ClN2O5S and a molecular weight of 320.75 g/mol. Its IUPAC name is 2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid
PubChem CID43697977
Molecular FormulaC11H13ClN2O5S
Molecular Weight320.75 g/mol
Exact Mass320.02
IUPAC Name2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid
SMILESCN(C)C(=O)c1ccc(Cl)cc1NS(=O)(=O)CC(=O)O
InChIInChI=1S/C11H13ClN2O5S/c1-14(2)11(17)8-4-3-7(12)5-9(8)13-20(18,19)6-10(15)16/h3-5,13H,6H2,1-2H3,(H,15,16)
InChIKeyDANZPRHCSWENOK-UHFFFAOYSA-N
XLogP0.87
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 ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(5-chloro-2-methoxycarbonylphenyl)sulfamoyl]acetic acid
CID 43361877
4-chloro-2-[(3-chloro-2-methylpropyl)sulfonylamino]-N,N-dimethylbenzamide
CID 79556557
4-chloro-2-[(2,5-dichlorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000948
4-chloro-2-[(4-chloro-2-fluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000902
4-chloro-2-[(3,4-dimethylphenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000922
4-chloro-2-[(2-ethoxy-2-oxoethyl)sulfonylamino]benzoic acid
CID 61457059
4-chloro-2-[(2,4-difluorophenyl)sulfonylamino]-N,N-dimethylbenzamide
CID 39000972
2-[(4-butan-2-ylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
CID 43063617
4-chloro-2-[(2-chloroacetyl)amino]-N,N-dimethylbenzamide
CID 43695965
2-[(4-chloro-2-iodophenyl)sulfamoyl]acetic acid
CID 107624863
2-[(2-bromo-4-methylphenyl)sulfonylamino]-4-chloro-N,N-dimethylbenzamide
CID 39833794
4-chloro-N,N-dimethyl-2-[(4-pyrrolidin-1-ylsulfonylphenyl)sulfonylamino]benzamide
CID 55604034

Frequently Asked Questions

What is the IUPAC name of 2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid?
The IUPAC name of 2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid (CID 43697977) is 2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid is CN(C)C(=O)c1ccc(Cl)cc1NS(=O)(=O)CC(=O)O.
What is the InChIKey of 2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid?
The InChIKey is DANZPRHCSWENOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClN2O5S/c1-14(2)11(17)8-4-3-7(12)5-9(8)13-20(18,19)6-10(15)16/h3-5,13H,6H2,1-2H3,(H,15,16).
What are the key properties of 2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid?
2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid has a molecular weight of 320.75 g/mol, XLogP of 0.87, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[5-chloro-2-(dimethylcarbamoyl)phenyl]sulfamoyl]acetic acid is sourced from PubChem (CID 43697977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).