3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide

C14H22FNO4S — CID 103836369

IUPAC3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H22FNO4S/c1-3-4-11(7-8-17)10-16-21(18,19)12-5-6-14(20-2)13(15)9-12/h5-6,9,11,16-17H,3-4,7-8,10H2,1-2H3
InChIKeyUIWIQHXRRLSNQU-UHFFFAOYSA-N
MW319.40 g/mol
LogP1.91
Rot. Bonds9

About 3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide

3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide (PubChem CID 103836369) has the molecular formula C14H22FNO4S and a molecular weight of 319.40 g/mol. Its IUPAC name is 3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound Name3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide
PubChem CID103836369
Molecular FormulaC14H22FNO4S
Molecular Weight319.40 g/mol
Exact Mass319.13
IUPAC Name3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide
SMILESCCCC(CCO)CNS(=O)(=O)c1ccc(OC)c(F)c1
InChIInChI=1S/C14H22FNO4S/c1-3-4-11(7-8-17)10-16-21(18,19)12-5-6-14(20-2)13(15)9-12/h5-6,9,11,16-17H,3-4,7-8,10H2,1-2H3
InChIKeyUIWIQHXRRLSNQU-UHFFFAOYSA-N
XLogP1.91
TPSA75.63 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.40
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide 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-fluoro-4-methoxy-N-[2-(methylamino)propyl]benzenesulfonamide
CID 120824953
3-fluoro-N-(3-hydroxybutyl)-4-methoxybenzenesulfonamide
CID 64912268
4-ethoxy-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836328
(2R)-2-[(3-fluoro-4-methoxyphenyl)sulfonylamino]-4-hydroxybutanoic acid
CID 104933823
3-chloro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836329
4-acetyl-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 103836399
3-fluoro-N-[2-(2-hydroxyethoxy)-2-(4-methylphenyl)ethyl]-4-methoxybenzenesulfonamide
CID 90536544
3-amino-N-(2-ethyl-4-hydroxybutyl)-5-fluoro-4-methoxybenzenesulfonamide
CID 114625939
3-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)-4-methoxybenzenesulfonamide
CID 115363072
4-amino-2,6-difluoro-N-[2-(2-hydroxyethyl)pentyl]benzenesulfonamide
CID 106113473
3-fluoro-N-[3-(2-hydroxyethoxy)propyl]-4-methoxybenzenesulfonamide
CID 104600565
3-fluoro-N-(2-hydroxy-2-thiophen-2-ylethyl)-4-methoxybenzenesulfonamide
CID 90500313

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide?
The IUPAC name of 3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide (CID 103836369) is 3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for 3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide?
The canonical SMILES for 3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide is CCCC(CCO)CNS(=O)(=O)c1ccc(OC)c(F)c1.
What is the InChIKey of 3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide?
The InChIKey is UIWIQHXRRLSNQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO4S/c1-3-4-11(7-8-17)10-16-21(18,19)12-5-6-14(20-2)13(15)9-12/h5-6,9,11,16-17H,3-4,7-8,10H2,1-2H3.
What are the key properties of 3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide?
3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide has a molecular weight of 319.40 g/mol, XLogP of 1.91, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[2-(2-hydroxyethyl)pentyl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 103836369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).