2-bromo-5-[(cyclopropylamino)methyl]-N-pyridazin-3-ylfuran-3-sulfonamide

C12H13BrN4O3S — CID 106084232

IUPAC2-bromo-5-[(cyclopropylamino)methyl]-N-pyridazin-3-ylfuran-3-sulfonamide
SMILESO=S(=O)(Nc1cccnn1)c1cc(CNC2CC2)oc1Br
InChIInChI=1S/C12H13BrN4O3S/c13-12-10(6-9(20-12)7-14-8-3-4-8)21(18,19)17-11-2-1-5-15-16-11/h1-2,5-6,8,14H,3-4,7H2,(H,16,17)
InChIKeyREMOTBRFVBPQOI-UHFFFAOYSA-N
MW373.23 g/mol
LogP1.88
Rot. Bonds6

About 2-bromo-5-[(cyclopropylamino)methyl]-N-pyridazin-3-ylfuran-3-sulfonamide

2-bromo-5-[(cyclopropylamino)methyl]-N-pyridazin-3-ylfuran-3-sulfonamide (PubChem CID 106084232) has the molecular formula C12H13BrN4O3S and a molecular weight of 373.23 g/mol. Its IUPAC name is 2-bromo-5-[(cyclopropylamino)methyl]-N-pyridazin-3-ylfuran-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-[(cyclopropylamino)methyl]-N-pyridazin-3-ylfuran-3-sulfonamide
PubChem CID106084232
Molecular FormulaC12H13BrN4O3S
Molecular Weight373.23 g/mol
Exact Mass371.99
IUPAC Name2-bromo-5-[(cyclopropylamino)methyl]-N-pyridazin-3-ylfuran-3-sulfonamide
SMILESO=S(=O)(Nc1cccnn1)c1cc(CNC2CC2)oc1Br
InChIInChI=1S/C12H13BrN4O3S/c13-12-10(6-9(20-12)7-14-8-3-4-8)21(18,19)17-11-2-1-5-15-16-11/h1-2,5-6,8,14H,3-4,7H2,(H,16,17)
InChIKeyREMOTBRFVBPQOI-UHFFFAOYSA-N
XLogP1.88
TPSA97.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-[(cyclopropylamino)methyl]-N-pyridazin-3-ylfuran-3-sulfonamide?
The IUPAC name of 2-bromo-5-[(cyclopropylamino)methyl]-N-pyridazin-3-ylfuran-3-sulfonamide (CID 106084232) is 2-bromo-5-[(cyclopropylamino)methyl]-N-pyridazin-3-ylfuran-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-[(cyclopropylamino)methyl]-N-pyridazin-3-ylfuran-3-sulfonamide?
The canonical SMILES for 2-bromo-5-[(cyclopropylamino)methyl]-N-pyridazin-3-ylfuran-3-sulfonamide is O=S(=O)(Nc1cccnn1)c1cc(CNC2CC2)oc1Br.
What is the InChIKey of 2-bromo-5-[(cyclopropylamino)methyl]-N-pyridazin-3-ylfuran-3-sulfonamide?
The InChIKey is REMOTBRFVBPQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O3S/c13-12-10(6-9(20-12)7-14-8-3-4-8)21(18,19)17-11-2-1-5-15-16-11/h1-2,5-6,8,14H,3-4,7H2,(H,16,17).
What are the key properties of 2-bromo-5-[(cyclopropylamino)methyl]-N-pyridazin-3-ylfuran-3-sulfonamide?
2-bromo-5-[(cyclopropylamino)methyl]-N-pyridazin-3-ylfuran-3-sulfonamide has a molecular weight of 373.23 g/mol, XLogP of 1.88, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-[(cyclopropylamino)methyl]-N-pyridazin-3-ylfuran-3-sulfonamide is sourced from PubChem (CID 106084232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).