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

C12H18BrNO4S2 — CID 106001289

IUPAC2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide
SMILESCSC1CCCCC1NS(=O)(=O)c1cc(CO)oc1Br
InChIInChI=1S/C12H18BrNO4S2/c1-19-10-5-3-2-4-9(10)14-20(16,17)11-6-8(7-15)18-12(11)13/h6,9-10,14-15H,2-5,7H2,1H3
InChIKeyNOUYIYGSHQQCRA-UHFFFAOYSA-N
MW384.32 g/mol
LogP2.49
Rot. Bonds5

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

2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide (PubChem CID 106001289) has the molecular formula C12H18BrNO4S2 and a molecular weight of 384.32 g/mol. Its IUPAC name is 2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide
PubChem CID106001289
Molecular FormulaC12H18BrNO4S2
Molecular Weight384.32 g/mol
Exact Mass382.99
IUPAC Name2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide
SMILESCSC1CCCCC1NS(=O)(=O)c1cc(CO)oc1Br
InChIInChI=1S/C12H18BrNO4S2/c1-19-10-5-3-2-4-9(10)14-20(16,17)11-6-8(7-15)18-12(11)13/h6,9-10,14-15H,2-5,7H2,1H3
InChIKeyNOUYIYGSHQQCRA-UHFFFAOYSA-N
XLogP2.49
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
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-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-3-sulfonamide
CID 106001307
5-(aminomethyl)-2-methyl-N-(2-methylsulfanylcyclopentyl)furan-3-sulfonamide
CID 106091691
5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106001276
2-bromo-5-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)furan-3-sulfonamide
CID 79356442
2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide
CID 106001344
4-(hydroxymethyl)-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106001430
5-(aminomethyl)-2-bromo-N-(2-ethylcyclohexyl)furan-3-sulfonamide
CID 106002889
4-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)thiophene-2-sulfonamide
CID 106001293
2-amino-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 104859269
2-cyano-N-(2-methylsulfanylcyclohexyl)benzenesulfonamide
CID 103835706
4-(aminomethyl)-2-bromo-N-(2-methylsulfanylcyclopentyl)benzenesulfonamide
CID 106091659
5-bromo-2-methyl-N-(2-methylsulfanylcyclopentyl)thiophene-3-sulfonamide
CID 103748807

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide (CID 106001289) is 2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide is CSC1CCCCC1NS(=O)(=O)c1cc(CO)oc1Br.
What is the InChIKey of 2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide?
The InChIKey is NOUYIYGSHQQCRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO4S2/c1-19-10-5-3-2-4-9(10)14-20(16,17)11-6-8(7-15)18-12(11)13/h6,9-10,14-15H,2-5,7H2,1H3.
What are the key properties of 2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide?
2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide has a molecular weight of 384.32 g/mol, XLogP of 2.49, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide is sourced from PubChem (CID 106001289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).