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

C12H15BrN4O3S — CID 106084083

IUPAC2-bromo-5-(propylaminomethyl)-N-pyridazin-3-ylfuran-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)Nc2cccnn2)c(Br)o1
InChIInChI=1S/C12H15BrN4O3S/c1-2-5-14-8-9-7-10(12(13)20-9)21(18,19)17-11-4-3-6-15-16-11/h3-4,6-7,14H,2,5,8H2,1H3,(H,16,17)
InChIKeyJPTHXPDFLARTED-UHFFFAOYSA-N
MW375.25 g/mol
LogP2.13
Rot. Bonds7

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

2-bromo-5-(propylaminomethyl)-N-pyridazin-3-ylfuran-3-sulfonamide (PubChem CID 106084083) has the molecular formula C12H15BrN4O3S and a molecular weight of 375.25 g/mol. Its IUPAC name is 2-bromo-5-(propylaminomethyl)-N-pyridazin-3-ylfuran-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(propylaminomethyl)-N-pyridazin-3-ylfuran-3-sulfonamide
PubChem CID106084083
Molecular FormulaC12H15BrN4O3S
Molecular Weight375.25 g/mol
Exact Mass374.00
IUPAC Name2-bromo-5-(propylaminomethyl)-N-pyridazin-3-ylfuran-3-sulfonamide
SMILESCCCNCc1cc(S(=O)(=O)Nc2cccnn2)c(Br)o1
InChIInChI=1S/C12H15BrN4O3S/c1-2-5-14-8-9-7-10(12(13)20-9)21(18,19)17-11-4-3-6-15-16-11/h3-4,6-7,14H,2,5,8H2,1H3,(H,16,17)
InChIKeyJPTHXPDFLARTED-UHFFFAOYSA-N
XLogP2.13
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.25
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-bromo-5-[(cyclopropylamino)methyl]-N-pyridazin-3-ylfuran-3-sulfonamide
CID 106084232
2-bromo-5-(propylaminomethyl)-N-pyridin-3-ylfuran-3-sulfonamide
CID 106033085
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
5-bromo-2-(ethylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787807
2-bromo-5-(methylaminomethyl)-N-(pyridazin-3-ylmethyl)furan-3-sulfonamide
CID 106089523
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
2-bromo-5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)furan-3-sulfonamide
CID 106081790
5-bromo-2-(methylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787819
6-(propylamino)-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787796

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(propylaminomethyl)-N-pyridazin-3-ylfuran-3-sulfonamide?
The IUPAC name of 2-bromo-5-(propylaminomethyl)-N-pyridazin-3-ylfuran-3-sulfonamide (CID 106084083) is 2-bromo-5-(propylaminomethyl)-N-pyridazin-3-ylfuran-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(propylaminomethyl)-N-pyridazin-3-ylfuran-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(propylaminomethyl)-N-pyridazin-3-ylfuran-3-sulfonamide is CCCNCc1cc(S(=O)(=O)Nc2cccnn2)c(Br)o1.
What is the InChIKey of 2-bromo-5-(propylaminomethyl)-N-pyridazin-3-ylfuran-3-sulfonamide?
The InChIKey is JPTHXPDFLARTED-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrN4O3S/c1-2-5-14-8-9-7-10(12(13)20-9)21(18,19)17-11-4-3-6-15-16-11/h3-4,6-7,14H,2,5,8H2,1H3,(H,16,17).
What are the key properties of 2-bromo-5-(propylaminomethyl)-N-pyridazin-3-ylfuran-3-sulfonamide?
2-bromo-5-(propylaminomethyl)-N-pyridazin-3-ylfuran-3-sulfonamide has a molecular weight of 375.25 g/mol, XLogP of 2.13, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(propylaminomethyl)-N-pyridazin-3-ylfuran-3-sulfonamide is sourced from PubChem (CID 106084083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).