2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid

C13H17NO5S — CID 43275314

IUPAC2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)NCC2CCC2)cc1
InChIInChI=1S/C13H17NO5S/c15-13(16)9-19-11-4-6-12(7-5-11)20(17,18)14-8-10-2-1-3-10/h4-7,10,14H,1-3,8-9H2,(H,15,16)
InChIKeyOLZSIJRMFQPTQX-UHFFFAOYSA-N
MW299.35 g/mol
LogP1.23
Rot. Bonds7

About 2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid

2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid (PubChem CID 43275314) has the molecular formula C13H17NO5S and a molecular weight of 299.35 g/mol. Its IUPAC name is 2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid
PubChem CID43275314
Molecular FormulaC13H17NO5S
Molecular Weight299.35 g/mol
Exact Mass299.08
IUPAC Name2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid
SMILESO=C(O)COc1ccc(S(=O)(=O)NCC2CCC2)cc1
InChIInChI=1S/C13H17NO5S/c15-13(16)9-19-11-4-6-12(7-5-11)20(17,18)14-8-10-2-1-3-10/h4-7,10,14H,1-3,8-9H2,(H,15,16)
InChIKeyOLZSIJRMFQPTQX-UHFFFAOYSA-N
XLogP1.23
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 51.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[4-(cyclobutylmethylsulfamoyl)phenoxy]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

4-(cyclobutylmethylsulfamoyl)benzoic acid
CID 43275322
4-(2-aminoethoxy)-N-(cyclobutylmethyl)benzenesulfonamide
CID 106024417
2-[4-[[(4Z)-cyclooct-4-en-1-yl]sulfamoyl]phenoxy]acetic acid
CID 166258390
4-(cyclohexylmethylsulfamoyl)benzoic acid
CID 18524305
2-[4-(benzenesulfonamidomethyl)phenoxy]acetic acid
CID 23470953
2-[4-(2,2-difluoroethylsulfamoyl)phenoxy]acetic acid
CID 115405544
2-[4-(piperidin-4-ylsulfamoyl)phenoxy]acetic acid
CID 61403339
2-[[5-(benzenesulfonamidomethyl)-5,6,7,8-tetrahydronaphthalen-2-yl]oxy]acetic acid
CID 19837465
N-(cyclobutylmethyl)-4-hydrazinylbenzenesulfonamide
CID 43455189
2-[4-[(2,2-difluoro-3-hydroxypropyl)sulfamoyl]phenoxy]acetic acid
CID 106168686
2-[4-(1H-pyrazol-4-ylmethylsulfamoyl)phenoxy]acetic acid
CID 60999310
2-[4-(oxolan-3-ylsulfamoyl)phenoxy]acetic acid
CID 80717459

Frequently Asked Questions

What is the IUPAC name of 2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid?
The IUPAC name of 2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid (CID 43275314) is 2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid.
What is the SMILES notation for 2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid?
The canonical SMILES for 2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid is O=C(O)COc1ccc(S(=O)(=O)NCC2CCC2)cc1.
What is the InChIKey of 2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid?
The InChIKey is OLZSIJRMFQPTQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17NO5S/c15-13(16)9-19-11-4-6-12(7-5-11)20(17,18)14-8-10-2-1-3-10/h4-7,10,14H,1-3,8-9H2,(H,15,16).
What are the key properties of 2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid?
2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid has a molecular weight of 299.35 g/mol, XLogP of 1.23, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(cyclobutylmethylsulfamoyl)phenoxy]acetic acid is sourced from PubChem (CID 43275314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).