2-bromo-5-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)furan-3-sulfonamide

C12H18BrNO4S — CID 79356442

IUPAC2-bromo-5-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)furan-3-sulfonamide
SMILESCC1(C)C(NS(=O)(=O)c2cc(CO)oc2Br)C1(C)C
InChIInChI=1S/C12H18BrNO4S/c1-11(2)10(12(11,3)4)14-19(16,17)8-5-7(6-15)18-9(8)13/h5,10,14-15H,6H2,1-4H3
InChIKeyZUIRQTMTDAHIKS-UHFFFAOYSA-N
MW352.25 g/mol
LogP2.25
Rot. Bonds4

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

2-bromo-5-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)furan-3-sulfonamide (PubChem CID 79356442) has the molecular formula C12H18BrNO4S and a molecular weight of 352.25 g/mol. Its IUPAC name is 2-bromo-5-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)furan-3-sulfonamide
PubChem CID79356442
Molecular FormulaC12H18BrNO4S
Molecular Weight352.25 g/mol
Exact Mass351.01
IUPAC Name2-bromo-5-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)furan-3-sulfonamide
SMILESCC1(C)C(NS(=O)(=O)c2cc(CO)oc2Br)C1(C)C
InChIInChI=1S/C12H18BrNO4S/c1-11(2)10(12(11,3)4)14-19(16,17)8-5-7(6-15)18-9(8)13/h5,10,14-15H,6H2,1-4H3
InChIKeyZUIRQTMTDAHIKS-UHFFFAOYSA-N
XLogP2.25
TPSA79.54 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.25
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-5-(hydroxymethyl)-N-(2-methylsulfanylcyclohexyl)furan-3-sulfonamide
CID 106001289
2-bromo-N-(3-ethylsulfanylcyclopentyl)-5-(hydroxymethyl)furan-3-sulfonamide
CID 106001344
2-bromo-N-(4-bromo-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide
CID 107416371
2,4-dibromo-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79356703
2-bromo-N-(3-chloro-2-methylphenyl)-5-(hydroxymethyl)furan-3-sulfonamide
CID 107309159
2-bromo-5-(hydroxymethyl)-N-[3-[methyl(propan-2-yl)amino]propyl]furan-3-sulfonamide
CID 106044189
2-bromo-5-(hydroxymethyl)-N-(1,2-oxazol-5-ylmethyl)furan-3-sulfonamide
CID 106423589
2,4-dichloro-3-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 79360538
2-bromo-N-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-(hydroxymethyl)furan-3-sulfonamide
CID 79237854
2-bromo-5-(hydroxymethyl)-N-methyl-N-(2-methylsulfonylethyl)furan-3-sulfonamide
CID 79864357
2-bromo-5-(hydroxymethyl)-N-[2-(3-methyl-1,2,4-oxadiazol-5-yl)ethyl]furan-3-sulfonamide
CID 106423526
2-bromo-5-(hydroxymethyl)-N-[1-(1H-1,2,4-triazol-5-yl)ethyl]furan-3-sulfonamide
CID 106283959

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-5-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)furan-3-sulfonamide (CID 79356442) is 2-bromo-5-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)furan-3-sulfonamide is CC1(C)C(NS(=O)(=O)c2cc(CO)oc2Br)C1(C)C.
What is the InChIKey of 2-bromo-5-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)furan-3-sulfonamide?
The InChIKey is ZUIRQTMTDAHIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18BrNO4S/c1-11(2)10(12(11,3)4)14-19(16,17)8-5-7(6-15)18-9(8)13/h5,10,14-15H,6H2,1-4H3.
What are the key properties of 2-bromo-5-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)furan-3-sulfonamide?
2-bromo-5-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)furan-3-sulfonamide has a molecular weight of 352.25 g/mol, XLogP of 2.25, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(hydroxymethyl)-N-(2,2,3,3-tetramethylcyclopropyl)furan-3-sulfonamide is sourced from PubChem (CID 79356442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).