2-[2-(methoxycarbonylsulfamoylamino)phenoxy]acetic acid

C10H12N2O7S — CID 114462681

IUPAC2-[2-(methoxycarbonylsulfamoylamino)phenoxy]acetic acid
SMILESCOC(=O)NS(=O)(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C10H12N2O7S/c1-18-10(15)12-20(16,17)11-7-4-2-3-5-8(7)19-6-9(13)14/h2-5,11H,6H2,1H3,(H,12,15)(H,13,14)
InChIKeyVMDBKOQPRMIFLZ-UHFFFAOYSA-N
MW304.28 g/mol
LogP0.16
Rot. Bonds6

About 2-[2-(methoxycarbonylsulfamoylamino)phenoxy]acetic acid

2-[2-(methoxycarbonylsulfamoylamino)phenoxy]acetic acid (PubChem CID 114462681) has the molecular formula C10H12N2O7S and a molecular weight of 304.28 g/mol. Its IUPAC name is 2-[2-(methoxycarbonylsulfamoylamino)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[2-(methoxycarbonylsulfamoylamino)phenoxy]acetic acid
PubChem CID114462681
Molecular FormulaC10H12N2O7S
Molecular Weight304.28 g/mol
Exact Mass304.04
IUPAC Name2-[2-(methoxycarbonylsulfamoylamino)phenoxy]acetic acid
SMILESCOC(=O)NS(=O)(=O)Nc1ccccc1OCC(=O)O
InChIInChI=1S/C10H12N2O7S/c1-18-10(15)12-20(16,17)11-7-4-2-3-5-8(7)19-6-9(13)14/h2-5,11H,6H2,1H3,(H,12,15)(H,13,14)
InChIKeyVMDBKOQPRMIFLZ-UHFFFAOYSA-N
XLogP0.16
TPSA131.03 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.28
LogP ≤ 50.16
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(tert-butylsulfamoylamino)phenoxy]acetic acid
CID 114806162
2-[2-(difluoromethylsulfonylamino)phenoxy]acetic acid
CID 63745528
2-[2-(carboxymethoxy)phenoxy]acetic acid;hydrate
CID 121199307
methyl N-[(2-methyl-3-sulfamoylphenyl)sulfamoyl]carbamate
CID 114465998
2-[2-(2-methylprop-2-enoylamino)phenoxy]acetic acid
CID 13070434
methyl N-[(2-benzoyl-4-chlorophenyl)sulfamoyl]carbamate
CID 110193413
5-hydroxy-2-(methoxycarbonylsulfamoylamino)benzoic acid
CID 114462428
2-[2-(3-methylbut-2-enoylamino)phenoxy]acetic acid
CID 55241875
2-[2-(but-2-ynoylamino)phenoxy]acetic acid
CID 107986692
2-[2-[(3-methoxy-3-methylbutanoyl)amino]phenoxy]acetic acid
CID 103018697
2-(2-ethylsulfonylphenoxy)acetic acid
CID 114335185
2-[2-[(3-amino-2,2,3-trimethylbutanoyl)amino]phenoxy]acetic acid
CID 65266651

Frequently Asked Questions

What is the IUPAC name of 2-[2-(methoxycarbonylsulfamoylamino)phenoxy]acetic acid?
The IUPAC name of 2-[2-(methoxycarbonylsulfamoylamino)phenoxy]acetic acid (CID 114462681) is 2-[2-(methoxycarbonylsulfamoylamino)phenoxy]acetic acid.
What is the SMILES notation for 2-[2-(methoxycarbonylsulfamoylamino)phenoxy]acetic acid?
The canonical SMILES for 2-[2-(methoxycarbonylsulfamoylamino)phenoxy]acetic acid is COC(=O)NS(=O)(=O)Nc1ccccc1OCC(=O)O.
What is the InChIKey of 2-[2-(methoxycarbonylsulfamoylamino)phenoxy]acetic acid?
The InChIKey is VMDBKOQPRMIFLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2O7S/c1-18-10(15)12-20(16,17)11-7-4-2-3-5-8(7)19-6-9(13)14/h2-5,11H,6H2,1H3,(H,12,15)(H,13,14).
What are the key properties of 2-[2-(methoxycarbonylsulfamoylamino)phenoxy]acetic acid?
2-[2-(methoxycarbonylsulfamoylamino)phenoxy]acetic acid has a molecular weight of 304.28 g/mol, XLogP of 0.16, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(methoxycarbonylsulfamoylamino)phenoxy]acetic acid is sourced from PubChem (CID 114462681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).