2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide

C12H18BrNO4S2 — CID 106001344

IUPAC2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide
SMILESCCSC1CCC(NS(=O)(=O)c2cc(CO)oc2Br)C1
InChIInChI=1S/C12H18BrNO4S2/c1-2-19-10-4-3-8(5-10)14-20(16,17)11-6-9(7-15)18-12(11)13/h6,8,10,14-15H,2-5,7H2,1H3
InChIKeyWAVYQKCCKBWWLX-UHFFFAOYSA-N
MW384.32 g/mol
LogP2.49
Rot. Bonds6

About 2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide

2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide (PubChem CID 106001344) has the molecular formula C12H18BrNO4S2 and a molecular weight of 384.32 g/mol. Its IUPAC name is 2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide
PubChem CID106001344
Molecular FormulaC12H18BrNO4S2
Molecular Weight384.32 g/mol
Exact Mass382.99
IUPAC Name2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide
SMILESCCSC1CCC(NS(=O)(=O)c2cc(CO)oc2Br)C1
InChIInChI=1S/C12H18BrNO4S2/c1-2-19-10-4-3-8(5-10)14-20(16,17)11-6-9(7-15)18-12(11)13/h6,8,10,14-15H,2-5,7H2,1H3
InChIKeyWAVYQKCCKBWWLX-UHFFFAOYSA-N
XLogP2.49
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.32
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-(methylaminomethyl)-N-(3-methylsulfanylcyclopentyl)furan-3-sulfonamide
CID 106092238
N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)thiophene-3-sulfonamide
CID 106001330
4-bromo-N-(3-ethylsulfanylcyclopentyl)benzenesulfonamide
CID 113242763
N-(3-ethylsulfanylcyclopentyl)-2-methylbenzenesulfonamide
CID 113248074
2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(methylaminomethyl)thiophene-3-sulfonamide
CID 106091565
5-(aminomethyl)-2-bromo-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106090773
2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106001289
N-(3-ethylsulfanylcyclopentyl)-4-fluoro-3-(hydroxymethyl)benzenesulfonamide
CID 106001324
5-(aminomethyl)-2-bromo-N-(3-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106091344
5-(hydroxymethyl)-2-methyl-N-(4-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106000990
2-bromo-5-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)furan-3-sulfonamide
CID 79356442
5-bromo-4-[(3-methylsulfanylcyclopentyl)sulfamoyl]furan-2-carboxylic acid
CID 104655236

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide (CID 106001344) is 2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide is CCSC1CCC(NS(=O)(=O)c2cc(CO)oc2Br)C1.
What is the InChIKey of 2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide?
The InChIKey is WAVYQKCCKBWWLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO4S2/c1-2-19-10-4-3-8(5-10)14-20(16,17)11-6-9(7-15)18-12(11)13/h6,8,10,14-15H,2-5,7H2,1H3.
What are the key properties of 2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide?
2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide has a molecular weight of 384.32 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide is sourced from PubChem (CID 106001344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).