2-[2-(dimethylsulfamoyl)-5-methoxyphenyl]acetic acid

C11H15NO5S — CID 16775359

IUPAC2-[2-(dimethylsulfamoyl)-5-methoxyphenyl]acetic acid
SMILESCOc1ccc(S(=O)(=O)N(C)C)c(CC(=O)O)c1
InChIInChI=1S/C11H15NO5S/c1-12(2)18(15,16)10-5-4-9(17-3)6-8(10)7-11(13)14/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyCCJRURNBJZNKQA-UHFFFAOYSA-N
MW273.31 g/mol
LogP0.57
Rot. Bonds5

About 2-[2-(dimethylsulfamoyl)-5-methoxyphenyl]acetic acid

2-[2-(dimethylsulfamoyl)-5-methoxyphenyl]acetic acid (PubChem CID 16775359) has the molecular formula C11H15NO5S and a molecular weight of 273.31 g/mol. Its IUPAC name is 2-[2-(dimethylsulfamoyl)-5-methoxyphenyl]acetic acid.

Molecular Properties

Compound Name2-[2-(dimethylsulfamoyl)-5-methoxyphenyl]acetic acid
PubChem CID16775359
Molecular FormulaC11H15NO5S
Molecular Weight273.31 g/mol
Exact Mass273.07
IUPAC Name2-[2-(dimethylsulfamoyl)-5-methoxyphenyl]acetic acid
SMILESCOc1ccc(S(=O)(=O)N(C)C)c(CC(=O)O)c1
InChIInChI=1S/C11H15NO5S/c1-12(2)18(15,16)10-5-4-9(17-3)6-8(10)7-11(13)14/h4-6H,7H2,1-3H3,(H,13,14)
InChIKeyCCJRURNBJZNKQA-UHFFFAOYSA-N
XLogP0.57
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.31
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[5-methoxy-2-[methyl(propyl)sulfamoyl]phenyl]acetic acid
CID 43659129
2-[2-[ethyl(propyl)sulfamoyl]-5-methoxyphenyl]acetic acid
CID 43659128
2-[5-methoxy-2-(pyrrol-1-ylsulfamoyl)phenyl]acetic acid
CID 79084888
2-chloro-4-hydroxy-N,N-dimethylbenzenesulfonamide;2-chloro-4-methoxy-N,N-dimethylbenzenesulfonamide
CID 160787118
3-[2-(dimethylamino)-5-methoxyphenyl]propanoic acid
CID 117319605
2-[5-(dimethylsulfamoyl)-2-methoxyphenyl]acetic acid
CID 16770686
2-[2-(2-cyanopropylsulfamoyl)-5-methoxyphenyl]acetic acid
CID 62666374
4-[(2,4-dimethoxyphenyl)sulfonyl-methylamino]butanoic acid
CID 43238128
2-[2-(1H-imidazol-2-ylsulfamoyl)-5-methoxyphenyl]acetic acid
CID 63563903
N-[[2-(dimethylsulfamoyl)phenyl]methyl]-2-(4-methoxyphenyl)acetamide
CID 26060329
2-[2-(2-aminoethyl)-4-methoxyphenyl]acetic acid
CID 168876495
2-[(2,5-dimethoxyphenyl)sulfonyl-propan-2-ylamino]acetic acid
CID 60829815

Frequently Asked Questions

What is the IUPAC name of 2-[2-(dimethylsulfamoyl)-5-methoxyphenyl]acetic acid?
The IUPAC name of 2-[2-(dimethylsulfamoyl)-5-methoxyphenyl]acetic acid (CID 16775359) is 2-[2-(dimethylsulfamoyl)-5-methoxyphenyl]acetic acid.
What is the SMILES notation for 2-[2-(dimethylsulfamoyl)-5-methoxyphenyl]acetic acid?
The canonical SMILES for 2-[2-(dimethylsulfamoyl)-5-methoxyphenyl]acetic acid is COc1ccc(S(=O)(=O)N(C)C)c(CC(=O)O)c1.
What is the InChIKey of 2-[2-(dimethylsulfamoyl)-5-methoxyphenyl]acetic acid?
The InChIKey is CCJRURNBJZNKQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15NO5S/c1-12(2)18(15,16)10-5-4-9(17-3)6-8(10)7-11(13)14/h4-6H,7H2,1-3H3,(H,13,14).
What are the key properties of 2-[2-(dimethylsulfamoyl)-5-methoxyphenyl]acetic acid?
2-[2-(dimethylsulfamoyl)-5-methoxyphenyl]acetic acid has a molecular weight of 273.31 g/mol, XLogP of 0.57, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(dimethylsulfamoyl)-5-methoxyphenyl]acetic acid is sourced from PubChem (CID 16775359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).