[4-[4-(4-hydroxybutylsulfamoyl)phenyl]phenyl] acetate

C18H21NO5S — CID 11552296

IUPAC[4-[4-(4-hydroxybutylsulfamoyl)phenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2ccc(S(=O)(=O)NCCCCO)cc2)cc1
InChIInChI=1S/C18H21NO5S/c1-14(21)24-17-8-4-15(5-9-17)16-6-10-18(11-7-16)25(22,23)19-12-2-3-13-20/h4-11,19-20H,2-3,12-13H2,1H3
InChIKeyLYCJDKKUEWYHOM-UHFFFAOYSA-N
MW363.44 g/mol
LogP2.33
Rot. Bonds8

About [4-[4-(4-hydroxybutylsulfamoyl)phenyl]phenyl] acetate

[4-[4-(4-hydroxybutylsulfamoyl)phenyl]phenyl] acetate (PubChem CID 11552296) has the molecular formula C18H21NO5S and a molecular weight of 363.44 g/mol. Its IUPAC name is [4-[4-(4-hydroxybutylsulfamoyl)phenyl]phenyl] acetate.

Molecular Properties

Compound Name[4-[4-(4-hydroxybutylsulfamoyl)phenyl]phenyl] acetate
PubChem CID11552296
Molecular FormulaC18H21NO5S
Molecular Weight363.44 g/mol
Exact Mass363.11
IUPAC Name[4-[4-(4-hydroxybutylsulfamoyl)phenyl]phenyl] acetate
SMILESCC(=O)Oc1ccc(-c2ccc(S(=O)(=O)NCCCCO)cc2)cc1
InChIInChI=1S/C18H21NO5S/c1-14(21)24-17-8-4-15(5-9-17)16-6-10-18(11-7-16)25(22,23)19-12-2-3-13-20/h4-11,19-20H,2-3,12-13H2,1H3
InChIKeyLYCJDKKUEWYHOM-UHFFFAOYSA-N
XLogP2.33
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.44
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'phenol_ester', 'substructure': 'N/A'}

Analyze [4-[4-(4-hydroxybutylsulfamoyl)phenyl]phenyl] acetate 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-(4-hydroxybutyl)-4-[4-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 11509340
methyl 4-(4-hydroxybutylsulfamoyl)benzoate
CID 106844012
N-(4-hydroxybutyl)-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 11682252
4-ethoxy-N-(3-hydroxypropyl)benzenesulfonamide
CID 6460242
N-(5-hydroxypentyl)-4-(4-isocyanophenyl)benzenesulfonamide
CID 59728337
[4-[[(4-methylphenyl)sulfonylamino]methyl]phenyl] acetate
CID 177425846
methyl 2-[4-(3-hydroxypropylsulfamoyl)phenoxy]acetate
CID 126134738
4-amino-N-(5-hydroxypentyl)benzenesulfonamide
CID 107316374
4-(5-hydroxypentylsulfamoyl)benzamide
CID 107319438
4-N-(3-hydroxypropyl)-1-N-methylbenzene-1,4-disulfonamide
CID 43501515
N-(2-hydroxyethyl)-4-methoxybenzenesulfonamide
CID 2055080
4-methoxy-N-[3-[(4-methoxyphenyl)sulfonylamino]propyl]benzenesulfonamide
CID 2164945

Frequently Asked Questions

What is the IUPAC name of [4-[4-(4-hydroxybutylsulfamoyl)phenyl]phenyl] acetate?
The IUPAC name of [4-[4-(4-hydroxybutylsulfamoyl)phenyl]phenyl] acetate (CID 11552296) is [4-[4-(4-hydroxybutylsulfamoyl)phenyl]phenyl] acetate.
What is the SMILES notation for [4-[4-(4-hydroxybutylsulfamoyl)phenyl]phenyl] acetate?
The canonical SMILES for [4-[4-(4-hydroxybutylsulfamoyl)phenyl]phenyl] acetate is CC(=O)Oc1ccc(-c2ccc(S(=O)(=O)NCCCCO)cc2)cc1.
What is the InChIKey of [4-[4-(4-hydroxybutylsulfamoyl)phenyl]phenyl] acetate?
The InChIKey is LYCJDKKUEWYHOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S/c1-14(21)24-17-8-4-15(5-9-17)16-6-10-18(11-7-16)25(22,23)19-12-2-3-13-20/h4-11,19-20H,2-3,12-13H2,1H3.
What are the key properties of [4-[4-(4-hydroxybutylsulfamoyl)phenyl]phenyl] acetate?
[4-[4-(4-hydroxybutylsulfamoyl)phenyl]phenyl] acetate has a molecular weight of 363.44 g/mol, XLogP of 2.33, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[4-(4-hydroxybutylsulfamoyl)phenyl]phenyl] acetate is sourced from PubChem (CID 11552296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).