2-bromo-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide

C13H23BrN2O3S — CID 83147220

IUPAC2-bromo-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC(C)C(C)(C)C)c(Br)o1
InChIInChI=1S/C13H23BrN2O3S/c1-9(13(2,3)4)7-16-20(17,18)11-6-10(8-15-5)19-12(11)14/h6,9,15-16H,7-8H2,1-5H3
InChIKeyUVKMPVSZOXHDFR-UHFFFAOYSA-N
MW367.31 g/mol
LogP2.72
Rot. Bonds6

About 2-bromo-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide

2-bromo-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide (PubChem CID 83147220) has the molecular formula C13H23BrN2O3S and a molecular weight of 367.31 g/mol. Its IUPAC name is 2-bromo-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
PubChem CID83147220
Molecular FormulaC13H23BrN2O3S
Molecular Weight367.31 g/mol
Exact Mass366.06
IUPAC Name2-bromo-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
SMILESCNCc1cc(S(=O)(=O)NCC(C)C(C)(C)C)c(Br)o1
InChIInChI=1S/C13H23BrN2O3S/c1-9(13(2,3)4)7-16-20(17,18)11-6-10(8-15-5)19-12(11)14/h6,9,15-16H,7-8H2,1-5H3
InChIKeyUVKMPVSZOXHDFR-UHFFFAOYSA-N
XLogP2.72
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.31
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-bromo-N-(2,2-dimethylbutyl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 103466005
2-bromo-N-[(2-bromophenyl)methyl]-5-(methylaminomethyl)furan-3-sulfonamide
CID 106051929
2-bromo-N-[(4-chlorophenyl)methyl]-5-(methylaminomethyl)furan-3-sulfonamide
CID 106023358
2-methyl-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)thiophene-3-sulfonamide
CID 83147747
2-bromo-5-(methylaminomethyl)-N-(4-methylhexan-2-yl)furan-3-sulfonamide
CID 106066783
2-bromo-5-(methylaminomethyl)-N-(oxan-4-ylmethyl)furan-3-sulfonamide
CID 106063015
2-bromo-N-(1-cyclopentylethyl)-5-(methylaminomethyl)furan-3-sulfonamide
CID 106066089
5-bromo-2-methyl-N-(2,3,3-trimethylbutyl)benzenesulfonamide
CID 83147355
5-(hydroxymethyl)-2-methyl-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide
CID 83147038
2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide
CID 106089523
2-bromo-N-(4-methylpentyl)-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106017116
2-bromo-5-(methylaminomethyl)-N-piperidin-1-ylfuran-3-sulfonamide
CID 106075338

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide (CID 83147220) is 2-bromo-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide is CNCc1cc(S(=O)(=O)NCC(C)C(C)(C)C)c(Br)o1.
What is the InChIKey of 2-bromo-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide?
The InChIKey is UVKMPVSZOXHDFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23BrN2O3S/c1-9(13(2,3)4)7-16-20(17,18)11-6-10(8-15-5)19-12(11)14/h6,9,15-16H,7-8H2,1-5H3.
What are the key properties of 2-bromo-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide?
2-bromo-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide has a molecular weight of 367.31 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(methylaminomethyl)-N-(2,3,3-trimethylbutyl)furan-3-sulfonamide is sourced from PubChem (CID 83147220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).