3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide

C12H18FNO3S — CID 103924550

IUPAC3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
SMILESCN(CCCCCO)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H18FNO3S/c1-14(8-3-2-4-9-15)18(16,17)12-7-5-6-11(13)10-12/h5-7,10,15H,2-4,8-9H2,1H3
InChIKeyZJMVOCWMMBXEKO-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.61
Rot. Bonds7

About 3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide

3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide (PubChem CID 103924550) has the molecular formula C12H18FNO3S and a molecular weight of 275.34 g/mol. Its IUPAC name is 3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
PubChem CID103924550
Molecular FormulaC12H18FNO3S
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC Name3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
SMILESCN(CCCCCO)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C12H18FNO3S/c1-14(8-3-2-4-9-15)18(16,17)12-7-5-6-11(13)10-12/h5-7,10,15H,2-4,8-9H2,1H3
InChIKeyZJMVOCWMMBXEKO-UHFFFAOYSA-N
XLogP1.61
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide 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

3-[5-hydroxypentyl(methyl)sulfamoyl]benzoic acid
CID 104651414
3-[5-hydroxypentyl(methyl)sulfamoyl]benzenecarbothioamide
CID 107199759
1-N,3-N-dimethyl-1-N,3-N-dioctadecylbenzene-1,3-disulfonamide
CID 168911420
2-amino-4-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107197608
N-(5-hydroxypentyl)-N-methylpyridine-3-sulfonamide
CID 107202982
3-amino-N-(5-hydroxypentyl)-N,4-dimethylbenzenesulfonamide
CID 107197609
3-fluoro-N-(2-hydroxyethyl)-N-propylbenzenesulfonamide
CID 3835270
4-acetyl-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 103731031
2-(aminomethyl)-3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide
CID 107198959
3-fluoro-N-methyl-N-(2-piperazin-1-ylethyl)benzenesulfonamide
CID 63265596
3-bromo-N-(5-hydroxypentyl)-4-methoxy-N-methylbenzenesulfonamide
CID 104982030
3-[3-(dimethylamino)propyl-methylsulfamoyl]benzenesulfonyl fluoride
CID 114958336

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide?
The IUPAC name of 3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide (CID 103924550) is 3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide is CN(CCCCCO)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide?
The InChIKey is ZJMVOCWMMBXEKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3S/c1-14(8-3-2-4-9-15)18(16,17)12-7-5-6-11(13)10-12/h5-7,10,15H,2-4,8-9H2,1H3.
What are the key properties of 3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide?
3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide has a molecular weight of 275.34 g/mol, XLogP of 1.61, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-(5-hydroxypentyl)-N-methylbenzenesulfonamide is sourced from PubChem (CID 103924550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).