5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide

C11H19BrN2O3S — CID 106055358

IUPAC5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cc(CN)oc1Br
InChIInChI=1S/C11H19BrN2O3S/c1-3-5-8(4-2)14-18(15,16)10-6-9(7-13)17-11(10)12/h6,8,14H,3-5,7,13H2,1-2H3
InChIKeyGCQCOZNJLLWJRL-UHFFFAOYSA-N
MW339.26 g/mol
LogP2.36
Rot. Bonds7

About 5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide

5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide (PubChem CID 106055358) has the molecular formula C11H19BrN2O3S and a molecular weight of 339.26 g/mol. Its IUPAC name is 5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide.

Molecular Properties

Compound Name5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide
PubChem CID106055358
Molecular FormulaC11H19BrN2O3S
Molecular Weight339.26 g/mol
Exact Mass338.03
IUPAC Name5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide
SMILESCCCC(CC)NS(=O)(=O)c1cc(CN)oc1Br
InChIInChI=1S/C11H19BrN2O3S/c1-3-5-8(4-2)14-18(15,16)10-6-9(7-13)17-11(10)12/h6,8,14H,3-5,7,13H2,1-2H3
InChIKeyGCQCOZNJLLWJRL-UHFFFAOYSA-N
XLogP2.36
TPSA85.33 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.26
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(aminomethyl)-N-hexan-3-yl-2-methylfuran-3-sulfonamide
CID 106055327
5-(aminomethyl)-2-bromo-N-(1-methoxybutan-2-yl)furan-3-sulfonamide
CID 106068270
2-bromo-N-hexan-3-yl-5-[(propan-2-ylamino)methyl]furan-3-sulfonamide
CID 106055502
2-bromo-5-[(cyclopropylamino)methyl]-N-hexan-3-ylfuran-3-sulfonamide
CID 106055474
5-(aminomethyl)-2-bromo-N-(1-phenylpropyl)furan-3-sulfonamide
CID 106055076
5-(aminomethyl)-2-bromo-N-[1-(diethylamino)propan-2-yl]furan-3-sulfonamide
CID 106052222
N-hexan-3-yl-5-(hydroxymethyl)-2-methylfuran-3-sulfonamide
CID 114134681
5-(aminomethyl)-2-bromo-N',N'-dimethylfuran-3-sulfonohydrazide
CID 106074764
5-(aminomethyl)-2-methyl-N-(1-methylsulfanylbutan-2-yl)furan-3-sulfonamide
CID 106083828
N-hexan-3-yl-2-hydrazinylbenzenesulfonamide
CID 62117288
5-(aminomethyl)-2-bromo-N-[2-(dimethylamino)ethyl]furan-3-sulfonamide
CID 114138879
5-(aminomethyl)-2,4-dichloro-N-hexan-3-ylbenzenesulfonamide
CID 106055367

Frequently Asked Questions

What is the IUPAC name of 5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide?
The IUPAC name of 5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide (CID 106055358) is 5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide.
What is the SMILES notation for 5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide?
The canonical SMILES for 5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide is CCCC(CC)NS(=O)(=O)c1cc(CN)oc1Br.
What is the InChIKey of 5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide?
The InChIKey is GCQCOZNJLLWJRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19BrN2O3S/c1-3-5-8(4-2)14-18(15,16)10-6-9(7-13)17-11(10)12/h6,8,14H,3-5,7,13H2,1-2H3.
What are the key properties of 5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide?
5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide has a molecular weight of 339.26 g/mol, XLogP of 2.36, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(aminomethyl)-2-bromo-N-hexan-3-ylfuran-3-sulfonamide is sourced from PubChem (CID 106055358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).