2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid

C10H13NO5S — CID 43361997

IUPAC2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid
SMILESCOc1cccc(CNS(=O)(=O)CC(=O)O)c1
InChIInChI=1S/C10H13NO5S/c1-16-9-4-2-3-8(5-9)6-11-17(14,15)7-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13)
InChIKeyXVOJCFAUYBBUNO-UHFFFAOYSA-N
MW259.28 g/mol
LogP0.20
Rot. Bonds6

About 2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid

2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid (PubChem CID 43361997) has the molecular formula C10H13NO5S and a molecular weight of 259.28 g/mol. Its IUPAC name is 2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid
PubChem CID43361997
Molecular FormulaC10H13NO5S
Molecular Weight259.28 g/mol
Exact Mass259.05
IUPAC Name2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid
SMILESCOc1cccc(CNS(=O)(=O)CC(=O)O)c1
InChIInChI=1S/C10H13NO5S/c1-16-9-4-2-3-8(5-9)6-11-17(14,15)7-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13)
InChIKeyXVOJCFAUYBBUNO-UHFFFAOYSA-N
XLogP0.20
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.28
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3-methoxyphenyl)methyl]-3-phenylpropane-1-sulfonamide
CID 110779943
2-[(3-bromophenyl)methylsulfamoyl]acetic acid
CID 61401339
N-benzyl-2-(3-methoxyphenyl)ethanesulfonamide
CID 110408872
3-amino-N-[(3-methoxyphenyl)methyl]propane-1-sulfonamide
CID 54911342
1-(4-fluorophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 51339544
2-[(3-methoxyphenyl)methylamino]acetic acid
CID 13236084
3-chloro-N-[(3-methoxyphenyl)methyl]-2-methylpropane-1-sulfonamide
CID 79585629
2-[(2-amino-4-methoxyphenyl)methylsulfamoyl]acetic acid
CID 71398855
1-(2-aminophenyl)-N-[(3-methoxyphenyl)methyl]methanesulfonamide
CID 62020158
5-[(3-methoxyphenyl)methylsulfamoyl]-1H-pyrazole-4-carboxylic acid
CID 60911407
methyl 4-[(3-methoxyphenyl)methylsulfamoyl]benzoate
CID 26528153
methyl 2-(benzylsulfamoyl)acetate
CID 130159397

Frequently Asked Questions

What is the IUPAC name of 2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid?
The IUPAC name of 2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid (CID 43361997) is 2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid.
What is the SMILES notation for 2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid?
The canonical SMILES for 2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid is COc1cccc(CNS(=O)(=O)CC(=O)O)c1.
What is the InChIKey of 2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid?
The InChIKey is XVOJCFAUYBBUNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13NO5S/c1-16-9-4-2-3-8(5-9)6-11-17(14,15)7-10(12)13/h2-5,11H,6-7H2,1H3,(H,12,13).
What are the key properties of 2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid?
2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid has a molecular weight of 259.28 g/mol, XLogP of 0.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-methoxyphenyl)methylsulfamoyl]acetic acid is sourced from PubChem (CID 43361997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).