2-[(3-methoxycarbonylphenyl)sulfamoyl]acetic acid

C10H11NO6S — CID 43361772

IUPAC2-[(3-methoxycarbonylphenyl)sulfamoyl]acetic acid
SMILESCOC(=O)c1cccc(NS(=O)(=O)CC(=O)O)c1
InChIInChI=1S/C10H11NO6S/c1-17-10(14)7-3-2-4-8(5-7)11-18(15,16)6-9(12)13/h2-5,11H,6H2,1H3,(H,12,13)
InChIKeyRJCSHMPVZQGKJD-UHFFFAOYSA-N
MW273.27 g/mol
LogP0.30
Rot. Bonds5

About 2-[(3-methoxycarbonylphenyl)sulfamoyl]acetic acid

2-[(3-methoxycarbonylphenyl)sulfamoyl]acetic acid (PubChem CID 43361772) has the molecular formula C10H11NO6S and a molecular weight of 273.27 g/mol. Its IUPAC name is 2-[(3-methoxycarbonylphenyl)sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(3-methoxycarbonylphenyl)sulfamoyl]acetic acid
PubChem CID43361772
Molecular FormulaC10H11NO6S
Molecular Weight273.27 g/mol
Exact Mass273.03
IUPAC Name2-[(3-methoxycarbonylphenyl)sulfamoyl]acetic acid
SMILESCOC(=O)c1cccc(NS(=O)(=O)CC(=O)O)c1
InChIInChI=1S/C10H11NO6S/c1-17-10(14)7-3-2-4-8(5-7)11-18(15,16)6-9(12)13/h2-5,11H,6H2,1H3,(H,12,13)
InChIKeyRJCSHMPVZQGKJD-UHFFFAOYSA-N
XLogP0.30
TPSA109.77 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.27
LogP ≤ 50.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[(3-methoxycarbonylphenyl)sulfamoyl]acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

methyl 3-(chloromethylsulfonylamino)benzoate
CID 63665328
2-[(3-ethylphenyl)sulfamoyl]acetic acid
CID 28773818
methyl 3-[(2-methylsulfonylacetyl)amino]benzoate
CID 61344209
methyl 3-(methylsulfonylmethylamino)benzoate
CID 68947045
2-[[3-(hydroxymethyl)phenyl]sulfamoyl]acetic acid
CID 43712124
methyl 3-[(4-iodophenyl)sulfonylamino]benzoate
CID 43423389
methyl 3-[(3-anilino-3-oxopropanoyl)amino]benzoate
CID 108952857
3-amino-4-(3-methoxycarbonylanilino)-4-oxobutanoic acid
CID 64894583
methyl 3-[(2-anilino-2-oxoacetyl)amino]benzoate
CID 108986708
methyl 3-[(4-butan-2-ylphenyl)sulfonylamino]benzoate
CID 22774690
methyl 3-(propan-2-yloxycarbonylsulfamoylamino)benzoate
CID 114465381
methyl 3-hydrazinylbenzoate;hydrochloride
CID 23285088

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxycarbonylphenyl)sulfamoyl]acetic acid?
The IUPAC name of 2-[(3-methoxycarbonylphenyl)sulfamoyl]acetic acid (CID 43361772) is 2-[(3-methoxycarbonylphenyl)sulfamoyl]acetic acid.
What is the SMILES notation for 2-[(3-methoxycarbonylphenyl)sulfamoyl]acetic acid?
The canonical SMILES for 2-[(3-methoxycarbonylphenyl)sulfamoyl]acetic acid is COC(=O)c1cccc(NS(=O)(=O)CC(=O)O)c1.
What is the InChIKey of 2-[(3-methoxycarbonylphenyl)sulfamoyl]acetic acid?
The InChIKey is RJCSHMPVZQGKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11NO6S/c1-17-10(14)7-3-2-4-8(5-7)11-18(15,16)6-9(12)13/h2-5,11H,6H2,1H3,(H,12,13).
What are the key properties of 2-[(3-methoxycarbonylphenyl)sulfamoyl]acetic acid?
2-[(3-methoxycarbonylphenyl)sulfamoyl]acetic acid has a molecular weight of 273.27 g/mol, XLogP of 0.30, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxycarbonylphenyl)sulfamoyl]acetic acid is sourced from PubChem (CID 43361772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).