2-[4-[benzyl(propyl)sulfamoyl]phenoxy]acetic acid

C18H21NO5S — CID 113222280

IUPAC2-[4-[benzyl(propyl)sulfamoyl]phenoxy]acetic acid
SMILESCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C18H21NO5S/c1-2-12-19(13-15-6-4-3-5-7-15)25(22,23)17-10-8-16(9-11-17)24-14-18(20)21/h3-11H,2,12-14H2,1H3,(H,20,21)
InChIKeyBFEVBILBAMJAAK-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.75
Rot. Bonds9

About 2-[4-[benzyl(propyl)sulfamoyl]phenoxy]acetic acid

2-[4-[benzyl(propyl)sulfamoyl]phenoxy]acetic acid (PubChem CID 113222280) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is 2-[4-[benzyl(propyl)sulfamoyl]phenoxy]acetic acid.

Molecular Properties

Compound Name2-[4-[benzyl(propyl)sulfamoyl]phenoxy]acetic acid
PubChem CID113222280
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Name2-[4-[benzyl(propyl)sulfamoyl]phenoxy]acetic acid
SMILESCCCN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)O)cc1
InChIInChI=1S/C18H21NO5S/c1-2-12-19(13-15-6-4-3-5-7-15)25(22,23)17-10-8-16(9-11-17)24-14-18(20)21/h3-11H,2,12-14H2,1H3,(H,20,21)
InChIKeyBFEVBILBAMJAAK-UHFFFAOYSA-N
XLogP2.75
TPSA83.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[4-[benzyl(propyl)sulfamoyl]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

N,N-dibenzyl-4-ethoxybenzenesulfonamide
CID 1338803
N-benzyl-4-cyano-N-propylbenzenesulfonamide
CID 30328624
4-[(4-phenoxyphenyl)sulfonyl-[(4-phenylmethoxyphenyl)methyl]amino]butanoic acid
CID 51346028
methyl 3-[benzyl-(4-methoxyphenyl)sulfonylamino]propanoate
CID 22907062
2-[2-[benzenesulfonyl(benzyl)amino]ethoxy]acetic acid
CID 154080670
2-[benzyl-(4-methoxyphenyl)sulfonylamino]acetic acid
CID 718840
N,N-dibenzyl-4-[2-(4-chlorophenoxy)acetyl]benzenesulfonamide
CID 18669510
N,N-dibenzyl-4-methoxybenzenesulfonamide
CID 1005048
3-[benzyl-(4-chlorophenyl)sulfonylamino]propanoic acid
CID 45472536
3-[benzyl-(4-bromophenyl)sulfonylamino]propanoic acid
CID 45472537
4-acetyl-N-ethyl-N-[(4-phenylmethoxyphenyl)methyl]benzenesulfonamide
CID 40750825
2-[4-[benzyl-[2-(dimethylamino)ethyl]sulfamoyl]phenyl]acetic acid
CID 113224421

Frequently Asked Questions

What is the IUPAC name of 2-[4-[benzyl(propyl)sulfamoyl]phenoxy]acetic acid?
The IUPAC name of 2-[4-[benzyl(propyl)sulfamoyl]phenoxy]acetic acid (CID 113222280) is 2-[4-[benzyl(propyl)sulfamoyl]phenoxy]acetic acid.
What is the SMILES notation for 2-[4-[benzyl(propyl)sulfamoyl]phenoxy]acetic acid?
The canonical SMILES for 2-[4-[benzyl(propyl)sulfamoyl]phenoxy]acetic acid is CCCN(Cc1ccccc1)S(=O)(=O)c1ccc(OCC(=O)O)cc1.
What is the InChIKey of 2-[4-[benzyl(propyl)sulfamoyl]phenoxy]acetic acid?
The InChIKey is BFEVBILBAMJAAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-2-12-19(13-15-6-4-3-5-7-15)25(22,23)17-10-8-16(9-11-17)24-14-18(20)21/h3-11H,2,12-14H2,1H3,(H,20,21).
What are the key properties of 2-[4-[benzyl(propyl)sulfamoyl]phenoxy]acetic acid?
2-[4-[benzyl(propyl)sulfamoyl]phenoxy]acetic acid has a molecular weight of 363.44 g/mol, XLogP of 2.75, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[benzyl(propyl)sulfamoyl]phenoxy]acetic acid is sourced from PubChem (CID 113222280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).