2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-(methylaminomethyl)furan-3-sulfonamide

C13H19BrN2O4S — CID 106092477

IUPAC2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-(methylaminomethyl)furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCOC2C2CC2)c(Br)o1
InChIInChI=1S/C13H19BrN2O4S/c1-15-7-9-6-11(13(14)20-9)21(17,18)16-10-4-5-19-12(10)8-2-3-8/h6,8,10,12,15-16H,2-5,7H2,1H3
InChIKeyUQRRNVUKTATJGR-UHFFFAOYSA-N
MW379.28 g/mol
LogP1.61
Rot. Bonds6

About 2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-(methylaminomethyl)furan-3-sulfonamide

2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-(methylaminomethyl)furan-3-sulfonamide (PubChem CID 106092477) has the molecular formula C13H19BrN2O4S and a molecular weight of 379.28 g/mol. Its IUPAC name is 2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-(methylaminomethyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-(methylaminomethyl)furan-3-sulfonamide
PubChem CID106092477
Molecular FormulaC13H19BrN2O4S
Molecular Weight379.28 g/mol
Exact Mass378.02
IUPAC Name2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-(methylaminomethyl)furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NC2CCOC2C2CC2)c(Br)o1
InChIInChI=1S/C13H19BrN2O4S/c1-15-7-9-6-11(13(14)20-9)21(17,18)16-10-4-5-19-12(10)8-2-3-8/h6,8,10,12,15-16H,2-5,7H2,1H3
InChIKeyUQRRNVUKTATJGR-UHFFFAOYSA-N
XLogP1.61
TPSA80.57 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.28
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106063015
2-bromo-5-(methylaminomethyl)-N-(3-methylsulfanylcyclopentyl)furan-3-sulfonamide
CID 106092238
2-bromo-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106076177
5-(aminomethyl)-2-bromo-N-(2-methyloxolan-3-yl)furan-3-sulfonamide
CID 106076206
2-cyano-N-(2-cyclopropyloxolan-3-yl)benzenesulfonamide
CID 103864178
2-bromo-N-(2-cyclopropyloxolan-3-yl)-4-(hydroxymethyl)benzenesulfonamide
CID 106001891
2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 106066089
5-bromo-N-(2-cyclopropyloxolan-3-yl)-4-methylthiophene-2-sulfonamide
CID 103864173
2-bromo-5-(methylaminomethyl)-N-piperidin-1-ylfuran-3-sulfonamide
CID 106075338
5-(aminomethyl)-N-(2-cyclopropyloxolan-3-yl)-2-methylthiophene-3-sulfonamide
CID 106092486
2-bromo-N-[2-[cyclopropyl(ethyl)amino]ethyl]-5-(methylaminomethyl)furan-3-sulfonamide
CID 106094069
2-bromo-5-(methylaminomethyl)-N-(4-methylpiperazin-1-yl)furan-3-sulfonamide
CID 106075537

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-(methylaminomethyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-(methylaminomethyl)furan-3-sulfonamide (CID 106092477) is 2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-(methylaminomethyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-(methylaminomethyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-(methylaminomethyl)furan-3-sulfonamide is CNCc1cc(S(=O)(=O)NC2CCOC2C2CC2)c(Br)o1.
What is the InChIKey of 2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-(methylaminomethyl)furan-3-sulfonamide?
The InChIKey is UQRRNVUKTATJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19BrN2O4S/c1-15-7-9-6-11(13(14)20-9)21(17,18)16-10-4-5-19-12(10)8-2-3-8/h6,8,10,12,15-16H,2-5,7H2,1H3.
What are the key properties of 2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-(methylaminomethyl)furan-3-sulfonamide?
2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-(methylaminomethyl)furan-3-sulfonamide has a molecular weight of 379.28 g/mol, XLogP of 1.61, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2-cyclopropyloxolan-3-yl)-5-(methylaminomethyl)furan-3-sulfonamide is sourced from PubChem (CID 106092477), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).