N-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide

C14H20FNO3S2 — CID 106001324

IUPACN-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
SMILESCCSC1CCC(NS(=O)(=O)c2ccc(F)c(CO)c2)C1
InChIInChI=1S/C14H20FNO3S2/c1-2-20-12-4-3-11(8-12)16-21(18,19)13-5-6-14(15)10(7-13)9-17/h5-7,11-12,16-17H,2-4,8-9H2,1H3
InChIKeyPQVUHMNYUWVQGQ-UHFFFAOYSA-N
MW333.45 g/mol
LogP2.27
Rot. Bonds6

About N-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide

N-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide (PubChem CID 106001324) has the molecular formula C14H20FNO3S2 and a molecular weight of 333.45 g/mol. Its IUPAC name is N-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
PubChem CID106001324
Molecular FormulaC14H20FNO3S2
Molecular Weight333.45 g/mol
Exact Mass333.09
IUPAC NameN-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
SMILESCCSC1CCC(NS(=O)(=O)c2ccc(F)c(CO)c2)C1
InChIInChI=1S/C14H20FNO3S2/c1-2-20-12-4-3-11(8-12)16-21(18,19)13-5-6-14(15)10(7-13)9-17/h5-7,11-12,16-17H,2-4,8-9H2,1H3
InChIKeyPQVUHMNYUWVQGQ-UHFFFAOYSA-N
XLogP2.27
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.45
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(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

3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide
CID 106091483
4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide
CID 113242763
3-(ethylaminomethyl)-4-fluoro-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114551938
N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106001330
2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide
CID 106001344
3-(ethylaminomethyl)-4-fluoro-N-(oxolan-3-yl)benzenesulfonamide
CID 106072571
2-fluoro-5-[(3-methylsulfanylcyclopentyl)sulfamoyl]benzoic acid
CID 104655230
N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 114123634
4-fluoro-3-(hydroxymethyl)-N-pentan-3-ylbenzenesulfonamide
CID 114132220
3-(aminomethyl)-N-cyclopentyl-4-fluorobenzenesulfonamide
CID 28716664
N-(3-ethylsulfanylcyclopentyl)-2-methylbenzenesulfonamide
CID 113248074
5-[(3-ethylsulfanylcyclopentyl)sulfamoyl]thiophene-2-carbothioamide
CID 106272138

Frequently Asked Questions

What is the IUPAC name of N-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide?
The IUPAC name of N-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide (CID 106001324) is N-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide.
What is the SMILES notation for N-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide?
The canonical SMILES for N-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide is CCSC1CCC(NS(=O)(=O)c2ccc(F)c(CO)c2)C1.
What is the InChIKey of N-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide?
The InChIKey is PQVUHMNYUWVQGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20FNO3S2/c1-2-20-12-4-3-11(8-12)16-21(18,19)13-5-6-14(15)10(7-13)9-17/h5-7,11-12,16-17H,2-4,8-9H2,1H3.
What are the key properties of N-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide?
N-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide has a molecular weight of 333.45 g/mol, XLogP of 2.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide is sourced from PubChem (CID 106001324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).