4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide

C13H18BrNO2S2 — CID 113242763

IUPAC4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide
SMILESCCSC1CCC(NS(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C13H18BrNO2S2/c1-2-18-12-6-5-11(9-12)15-19(16,17)13-7-3-10(14)4-8-13/h3-4,7-8,11-12,15H,2,5-6,9H2,1H3
InChIKeyZNAKQTZDMMOWJF-UHFFFAOYSA-N
MW364.33 g/mol
LogP3.40
Rot. Bonds5

About 4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide

4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide (PubChem CID 113242763) has the molecular formula C13H18BrNO2S2 and a molecular weight of 364.33 g/mol. Its IUPAC name is 4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide.

Molecular Properties

Compound Name4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide
PubChem CID113242763
Molecular FormulaC13H18BrNO2S2
Molecular Weight364.33 g/mol
Exact Mass363.00
IUPAC Name4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide
SMILESCCSC1CCC(NS(=O)(=O)c2ccc(Br)cc2)C1
InChIInChI=1S/C13H18BrNO2S2/c1-2-18-12-6-5-11(9-12)15-19(16,17)13-7-3-10(14)4-8-13/h3-4,7-8,11-12,15H,2,5-6,9H2,1H3
InChIKeyZNAKQTZDMMOWJF-UHFFFAOYSA-N
XLogP3.40
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.33
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-bromo-N-(3-methylcyclopentyl)benzenesulfonamide
CID 114545225
N-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
CID 106001324
3-(aminomethyl)-N-(3-ethylsulfanylcyclopentyl)-4-fluorobenzenesulfonamide
CID 106091483
4-bromo-N-(3,4-dimethylcyclohexyl)benzenesulfonamide
CID 64741660
N-(3-ethylsulfanylcyclopentyl)-2-methylbenzenesulfonamide
CID 113248074
N-(3-ethylsulfanylcyclopentyl)-2-hydrazinylpyrimidine-5-sulfonamide
CID 114123634
N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106001330
2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide
CID 106001344
5-(aminomethyl)-1-ethyl-N-(3-ethylsulfanylcyclopentyl)pyrrole-3-sulfonamide
CID 106091498
4-bromo-N-(3-ethoxycyclobutyl)benzenesulfonamide
CID 102609509
2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106091565
N-(3-ethylsulfanylcyclopentyl)-2-(methylaminomethyl)thiophene-3-sulfonamide
CID 106091523

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide?
The IUPAC name of 4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide (CID 113242763) is 4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide.
What is the SMILES notation for 4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide?
The canonical SMILES for 4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide is CCSC1CCC(NS(=O)(=O)c2ccc(Br)cc2)C1.
What is the InChIKey of 4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide?
The InChIKey is ZNAKQTZDMMOWJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18BrNO2S2/c1-2-18-12-6-5-11(9-12)15-19(16,17)13-7-3-10(14)4-8-13/h3-4,7-8,11-12,15H,2,5-6,9H2,1H3.
What are the key properties of 4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide?
4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide has a molecular weight of 364.33 g/mol, XLogP of 3.40, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide is sourced from PubChem (CID 113242763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).