2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid

C10H13NO6S — CID 28774020

IUPAC2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid
SMILESCOc1ccc(NS(=O)(=O)CC(=O)O)c(OC)c1
InChIInChI=1S/C10H13NO6S/c1-16-7-3-4-8(9(5-7)17-2)11-18(14,15)6-10(12)13/h3-5,11H,6H2,1-2H3,(H,12,13)
InChIKeyFOLKJXAIXYETCJ-UHFFFAOYSA-N
MW275.28 g/mol
LogP0.53
Rot. Bonds6

About 2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid

2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid (PubChem CID 28774020) has the molecular formula C10H13NO6S and a molecular weight of 275.28 g/mol. Its IUPAC name is 2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid
PubChem CID28774020
Molecular FormulaC10H13NO6S
Molecular Weight275.28 g/mol
Exact Mass275.05
IUPAC Name2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid
SMILESCOc1ccc(NS(=O)(=O)CC(=O)O)c(OC)c1
InChIInChI=1S/C10H13NO6S/c1-16-7-3-4-8(9(5-7)17-2)11-18(14,15)6-10(12)13/h3-5,11H,6H2,1-2H3,(H,12,13)
InChIKeyFOLKJXAIXYETCJ-UHFFFAOYSA-N
XLogP0.53
TPSA101.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.28
LogP ≤ 50.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,4-dimethoxyphenyl)-2-phenylethanesulfonamide
CID 110756497
(2,4-dimethoxyphenyl)hydrazine;oxalic acid
CID 138619968
2-[(2,4-dimethoxyphenyl)methylsulfonyl]acetic acid
CID 18003792
N-(2,4-dimethoxyphenyl)-3-(ethylamino)propane-1-sulfonamide
CID 106047695
N-(2,4-dimethoxyphenyl)-4-(ethylsulfonylamino)benzamide
CID 92643115
ethyl 2-[(4-amino-2-methoxyphenyl)sulfamoyl]acetate
CID 61456593
2-[[2-methoxy-5-[2-(2,4,6-trimethoxyphenyl)ethenylsulfinylmethyl]phenyl]sulfamoyl]acetic acid
CID 68562399
N-(2,5-dimethoxyphenyl)propane-1-sulfonamide
CID 60640726
2-(2,4-dimethoxyanilino)-N-methylacetamide
CID 26510077
1-chloro-N-(2,5-dimethoxyphenyl)methanesulfonamide
CID 63665098
N'-[(2,4-dimethoxyphenyl)sulfamoyl]ethane-1,2-diamine
CID 84760955
2-[(2-amino-4-methoxyphenyl)methylsulfamoyl]acetic acid
CID 71398855

Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid (CID 28774020) is 2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid is COc1ccc(NS(=O)(=O)CC(=O)O)c(OC)c1.
What is the InChIKey of 2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid?
The InChIKey is FOLKJXAIXYETCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO6S/c1-16-7-3-4-8(9(5-7)17-2)11-18(14,15)6-10(12)13/h3-5,11H,6H2,1-2H3,(H,12,13).
What are the key properties of 2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid?
2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid has a molecular weight of 275.28 g/mol, XLogP of 0.53, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dimethoxyphenyl)sulfamoyl]acetic acid is sourced from PubChem (CID 28774020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).