N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-(hydroxymethyl)benzenesulfonamide

C14H22FNO3S2 — CID 106001804

IUPACN-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-(hydroxymethyl)benzenesulfonamide
SMILESCCC(CC)(CNS(=O)(=O)c1cc(CO)ccc1F)SC
InChIInChI=1S/C14H22FNO3S2/c1-4-14(5-2,20-3)10-16-21(18,19)13-8-11(9-17)6-7-12(13)15/h6-8,16-17H,4-5,9-10H2,1-3H3
InChIKeyNYYWSBOOOIFGLL-UHFFFAOYSA-N
MW335.47 g/mol
LogP2.52
Rot. Bonds8

About N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-(hydroxymethyl)benzenesulfonamide

N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-(hydroxymethyl)benzenesulfonamide (PubChem CID 106001804) has the molecular formula C14H22FNO3S2 and a molecular weight of 335.47 g/mol. Its IUPAC name is N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-(hydroxymethyl)benzenesulfonamide
PubChem CID106001804
Molecular FormulaC14H22FNO3S2
Molecular Weight335.47 g/mol
Exact Mass335.10
IUPAC NameN-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-(hydroxymethyl)benzenesulfonamide
SMILESCCC(CC)(CNS(=O)(=O)c1cc(CO)ccc1F)SC
InChIInChI=1S/C14H22FNO3S2/c1-4-14(5-2,20-3)10-16-21(18,19)13-8-11(9-17)6-7-12(13)15/h6-8,16-17H,4-5,9-10H2,1-3H3
InChIKeyNYYWSBOOOIFGLL-UHFFFAOYSA-N
XLogP2.52
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.47
LogP ≤ 52.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-(hydroxymethyl)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-(2-ethyl-2-methylsulfanylbutyl)-4-fluorobenzenesulfonamide
CID 113242756
2-fluoro-5-(hydroxymethyl)-N-(3-methylbutyl)benzenesulfonamide
CID 114132457
2-fluoro-5-(hydroxymethyl)-N-(4-methylsulfanylcyclohexyl)benzenesulfonamide
CID 106000964
N-(2-ethyl-2-methylsulfanylbutyl)-3-fluoropyridine-2-sulfonamide
CID 114115952
2-fluoro-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]benzenesulfonamide
CID 106044181
2-fluoro-N-(2-methoxy-2-methylpropyl)-5-(methylaminomethyl)benzenesulfonamide
CID 106079864
2-fluoro-N-(3-hydroxy-2,2-dimethylpropyl)-5-methylbenzenesulfonamide
CID 115362967
3-(aminomethyl)-4-chloro-N-(2-ethyl-2-methylsulfanylbutyl)benzenesulfonamide
CID 106092373
2-fluoro-N-(2-hydroxy-2-methylbutyl)-5-nitrobenzenesulfonamide
CID 65113170
5-bromo-2-chloro-N-(2-ethyl-2-methylsulfanylbutyl)pyridine-3-sulfonamide
CID 103698220
5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)-2-methylthiophene-3-sulfonamide
CID 106092360
5-amino-2-fluoro-N-[[4-(hydroxymethyl)phenyl]methyl]benzenesulfonamide
CID 107229561

Frequently Asked Questions

What is the IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-(hydroxymethyl)benzenesulfonamide (CID 106001804) is N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-(hydroxymethyl)benzenesulfonamide is CCC(CC)(CNS(=O)(=O)c1cc(CO)ccc1F)SC.
What is the InChIKey of N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-(hydroxymethyl)benzenesulfonamide?
The InChIKey is NYYWSBOOOIFGLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22FNO3S2/c1-4-14(5-2,20-3)10-16-21(18,19)13-8-11(9-17)6-7-12(13)15/h6-8,16-17H,4-5,9-10H2,1-3H3.
What are the key properties of N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-(hydroxymethyl)benzenesulfonamide?
N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-(hydroxymethyl)benzenesulfonamide has a molecular weight of 335.47 g/mol, XLogP of 2.52, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethyl-2-methylsulfanylbutyl)-2-fluoro-5-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 106001804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).