2-bromo-5-(propylaminomethyl)-N-pyridin-3-ylfuran-3-sulfonamide

C13H16BrN3O3S — CID 106033085

IUPAC2-bromo-5-(propylaminomethyl)-N-pyridin-3-ylfuran-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)Nc2cccnc2)c(Br)o1
InChIInChI=1S/C13H16BrN3O3S/c1-2-5-15-9-11-7-12(13(14)20-11)21(18,19)17-10-4-3-6-16-8-10/h3-4,6-8,15,17H,2,5,9H2,1H3
InChIKeyWJIIQRFQFPYVCH-UHFFFAOYSA-N
MW374.26 g/mol
LogP2.74
Rot. Bonds7

About 2-bromo-5-(propylaminomethyl)-N-pyridin-3-ylfuran-3-sulfonamide

2-bromo-5-(propylaminomethyl)-N-pyridin-3-ylfuran-3-sulfonamide (PubChem CID 106033085) has the molecular formula C13H16BrN3O3S and a molecular weight of 374.26 g/mol. Its IUPAC name is 2-bromo-5-(propylaminomethyl)-N-pyridin-3-ylfuran-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(propylaminomethyl)-N-pyridin-3-ylfuran-3-sulfonamide
PubChem CID106033085
Molecular FormulaC13H16BrN3O3S
Molecular Weight374.26 g/mol
Exact Mass373.01
IUPAC Name2-bromo-5-(propylaminomethyl)-N-pyridin-3-ylfuran-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)Nc2cccnc2)c(Br)o1
InChIInChI=1S/C13H16BrN3O3S/c1-2-5-15-9-11-7-12(13(14)20-11)21(18,19)17-10-4-3-6-16-8-10/h3-4,6-8,15,17H,2,5,9H2,1H3
InChIKeyWJIIQRFQFPYVCH-UHFFFAOYSA-N
XLogP2.74
TPSA84.23 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.26
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 2-bromo-5-(propylaminomethyl)-N-pyridin-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

2-bromo-5-(propylaminomethyl)-N-pyridazin-3-ylfuran-3-sulfonamide
CID 106084083
2-bromo-5-(ethylaminomethyl)-N-(3-iodophenyl)furan-3-sulfonamide
CID 106029405
2-bromo-N-(5-methyl-1,3,4-thiadiazol-2-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106082750
2-bromo-N-(2-methylpentan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106018821
2-bromo-N-(3-methylsulfanylpropyl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106066222
2-bromo-N-(3-chloro-2-pyridinyl)-5-(ethylaminomethyl)furan-3-sulfonamide
CID 106086603
2-bromo-N-(2-methyloxolan-3-yl)-5-(propylaminomethyl)furan-3-sulfonamide
CID 106076177
5-(propylaminomethyl)-N-pyrimidin-5-ylfuran-2-sulfonamide
CID 106088778
2-methyl-5-(propylaminomethyl)-N-thiophen-3-ylfuran-3-sulfonamide
CID 106070165
3-amino-2,5-diethyl-N-pyridin-3-ylbenzenesulfonamide
CID 107405576
2-ethoxy-4-methyl-N-pyridin-3-ylbenzenesulfonamide
CID 15943881
4-bromo-5-methyl-2-propan-2-yl-N-pyridin-3-ylbenzenesulfonamide
CID 39845617

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(propylaminomethyl)-N-pyridin-3-ylfuran-3-sulfonamide?
The IUPAC name of 2-bromo-5-(propylaminomethyl)-N-pyridin-3-ylfuran-3-sulfonamide (CID 106033085) is 2-bromo-5-(propylaminomethyl)-N-pyridin-3-ylfuran-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(propylaminomethyl)-N-pyridin-3-ylfuran-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(propylaminomethyl)-N-pyridin-3-ylfuran-3-sulfonamide is CCCNCc1cc(S(=O)(=O)Nc2cccnc2)c(Br)o1.
What is the InChIKey of 2-bromo-5-(propylaminomethyl)-N-pyridin-3-ylfuran-3-sulfonamide?
The InChIKey is WJIIQRFQFPYVCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16BrN3O3S/c1-2-5-15-9-11-7-12(13(14)20-11)21(18,19)17-10-4-3-6-16-8-10/h3-4,6-8,15,17H,2,5,9H2,1H3.
What are the key properties of 2-bromo-5-(propylaminomethyl)-N-pyridin-3-ylfuran-3-sulfonamide?
2-bromo-5-(propylaminomethyl)-N-pyridin-3-ylfuran-3-sulfonamide has a molecular weight of 374.26 g/mol, XLogP of 2.74, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(propylaminomethyl)-N-pyridin-3-ylfuran-3-sulfonamide is sourced from PubChem (CID 106033085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).