2-[[3-(2-methylpropoxy)phenyl]sulfamoyl]acetic acid

C12H17NO5S — CID 54867388

IUPAC2-[[3-(2-methylpropoxy)phenyl]sulfamoyl]acetic acid
SMILESCC(C)COc1cccc(NS(=O)(=O)CC(=O)O)c1
InChIInChI=1S/C12H17NO5S/c1-9(2)7-18-11-5-3-4-10(6-11)13-19(16,17)8-12(14)15/h3-6,9,13H,7-8H2,1-2H3,(H,14,15)
InChIKeyOTDBCDRGEBDSOS-UHFFFAOYSA-N
MW287.34 g/mol
LogP1.55
Rot. Bonds7

About 2-[[3-(2-methylpropoxy)phenyl]sulfamoyl]acetic acid

2-[[3-(2-methylpropoxy)phenyl]sulfamoyl]acetic acid (PubChem CID 54867388) has the molecular formula C12H17NO5S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-[[3-(2-methylpropoxy)phenyl]sulfamoyl]acetic acid.

Molecular Properties

Compound Name2-[[3-(2-methylpropoxy)phenyl]sulfamoyl]acetic acid
PubChem CID54867388
Molecular FormulaC12H17NO5S
Molecular Weight287.34 g/mol
Exact Mass287.08
IUPAC Name2-[[3-(2-methylpropoxy)phenyl]sulfamoyl]acetic acid
SMILESCC(C)COc1cccc(NS(=O)(=O)CC(=O)O)c1
InChIInChI=1S/C12H17NO5S/c1-9(2)7-18-11-5-3-4-10(6-11)13-19(16,17)8-12(14)15/h3-6,9,13H,7-8H2,1-2H3,(H,14,15)
InChIKeyOTDBCDRGEBDSOS-UHFFFAOYSA-N
XLogP1.55
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 51.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[[3-(2-methylpropoxy)phenyl]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

N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide
CID 61062339
2-chloro-N-[3-(2-methylpropoxy)phenyl]ethanesulfonamide
CID 107651567
2-[[3-(2-amino-2-oxoethoxy)phenyl]sulfamoyl]acetic acid
CID 43712925
3-[3-(2-methylpropoxy)anilino]-3-oxopropanoic acid
CID 62230040
N-[3-(2-methylpropoxy)phenyl]acetamide
CID 23343374
1,3-bis[3-(2-methylpropoxy)phenyl]urea
CID 17170442
2-[3-(2-methylpropoxy)anilino]propanoic acid
CID 66174540
(2R)-2-amino-4-methyl-N-[3-(2-methylpropoxy)phenyl]pentanamide
CID 39378942
2-anilino-N-[3-(2-methylpropoxy)phenyl]acetamide
CID 54810289
2-[(3-methoxycarbonylphenyl)sulfamoyl]acetic acid
CID 43361772
[3-(2-methylpropoxy)phenyl]hydrazine
CID 55281229
3-(2-methylpropoxy)-N-(1-methylsulfonylpropan-2-yl)aniline
CID 64629546

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(2-methylpropoxy)phenyl]sulfamoyl]acetic acid?
The IUPAC name of 2-[[3-(2-methylpropoxy)phenyl]sulfamoyl]acetic acid (CID 54867388) is 2-[[3-(2-methylpropoxy)phenyl]sulfamoyl]acetic acid.
What is the SMILES notation for 2-[[3-(2-methylpropoxy)phenyl]sulfamoyl]acetic acid?
The canonical SMILES for 2-[[3-(2-methylpropoxy)phenyl]sulfamoyl]acetic acid is CC(C)COc1cccc(NS(=O)(=O)CC(=O)O)c1.
What is the InChIKey of 2-[[3-(2-methylpropoxy)phenyl]sulfamoyl]acetic acid?
The InChIKey is OTDBCDRGEBDSOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17NO5S/c1-9(2)7-18-11-5-3-4-10(6-11)13-19(16,17)8-12(14)15/h3-6,9,13H,7-8H2,1-2H3,(H,14,15).
What are the key properties of 2-[[3-(2-methylpropoxy)phenyl]sulfamoyl]acetic acid?
2-[[3-(2-methylpropoxy)phenyl]sulfamoyl]acetic acid has a molecular weight of 287.34 g/mol, XLogP of 1.55, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(2-methylpropoxy)phenyl]sulfamoyl]acetic acid is sourced from PubChem (CID 54867388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).