3-(1-hydroxypropyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide

C14H21NO4S — CID 60874373

IUPAC3-(1-hydroxypropyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCC(O)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C14H21NO4S/c1-2-14(16)11-5-3-7-13(9-11)20(17,18)15-10-12-6-4-8-19-12/h3,5,7,9,12,14-16H,2,4,6,8,10H2,1H3
InChIKeyDHJPWEQBAISIKN-UHFFFAOYSA-N
MW299.39 g/mol
LogP1.59
Rot. Bonds6

About 3-(1-hydroxypropyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide

3-(1-hydroxypropyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide (PubChem CID 60874373) has the molecular formula C14H21NO4S and a molecular weight of 299.39 g/mol. Its IUPAC name is 3-(1-hydroxypropyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-(1-hydroxypropyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
PubChem CID60874373
Molecular FormulaC14H21NO4S
Molecular Weight299.39 g/mol
Exact Mass299.12
IUPAC Name3-(1-hydroxypropyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
SMILESCCC(O)c1cccc(S(=O)(=O)NCC2CCCO2)c1
InChIInChI=1S/C14H21NO4S/c1-2-14(16)11-5-3-7-13(9-11)20(17,18)15-10-12-6-4-8-19-12/h3,5,7,9,12,14-16H,2,4,6,8,10H2,1H3
InChIKeyDHJPWEQBAISIKN-UHFFFAOYSA-N
XLogP1.59
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.39
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-(1-hydroxypropyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide 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-(oxolan-2-ylmethyl)-3-[3-(oxolan-2-ylmethylsulfamoyl)phenyl]sulfonylbenzenesulfonamide
CID 20967101
3-bromo-N-[[(2S)-oxolan-2-yl]methyl]benzenesulfonamide
CID 31481223
3-(1-hydroxypropyl)-N-[(3-methylcyclopentyl)methyl]benzenesulfonamide
CID 107414903
N,N-dimethyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 42910274
N-tert-butyl-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 109063903
3-bromo-N-(oxan-2-ylmethyl)benzenesulfonamide
CID 47406414
[(2S)-1-amino-1-oxopropan-2-yl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976905
[(1R)-1-cyanoethyl] 3-[[(2R)-oxolan-2-yl]methylsulfamoyl]benzoate
CID 7976917
N-[1-(4-fluorophenyl)ethyl]-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24639119
N-(4-acetamidophenyl)-3-(oxolan-2-ylmethylsulfamoyl)benzamide
CID 24539464
3-(azepane-1-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 43002594
3-(2,5-dimethylmorpholine-4-carbonyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
CID 55586374

Frequently Asked Questions

What is the IUPAC name of 3-(1-hydroxypropyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-(1-hydroxypropyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide (CID 60874373) is 3-(1-hydroxypropyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-(1-hydroxypropyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-(1-hydroxypropyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide is CCC(O)c1cccc(S(=O)(=O)NCC2CCCO2)c1.
What is the InChIKey of 3-(1-hydroxypropyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
The InChIKey is DHJPWEQBAISIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21NO4S/c1-2-14(16)11-5-3-7-13(9-11)20(17,18)15-10-12-6-4-8-19-12/h3,5,7,9,12,14-16H,2,4,6,8,10H2,1H3.
What are the key properties of 3-(1-hydroxypropyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide?
3-(1-hydroxypropyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide has a molecular weight of 299.39 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-hydroxypropyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 60874373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).