2-bromo-5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)furan-3-sulfonamide

C11H13BrN4O4S — CID 106081790

IUPAC2-bromo-5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2ccc(=O)[nH]n2)c(Br)o1
InChIInChI=1S/C11H13BrN4O4S/c1-2-13-6-7-5-8(11(12)20-7)21(18,19)16-9-3-4-10(17)15-14-9/h3-5,13H,2,6H2,1H3,(H,14,16)(H,15,17)
InChIKeyNEKQJQCRLQWBAG-UHFFFAOYSA-N
MW377.22 g/mol
LogP1.04
Rot. Bonds6

About 2-bromo-5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)furan-3-sulfonamide

2-bromo-5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)furan-3-sulfonamide (PubChem CID 106081790) has the molecular formula C11H13BrN4O4S and a molecular weight of 377.22 g/mol. Its IUPAC name is 2-bromo-5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)furan-3-sulfonamide.

Molecular Properties

Compound Name2-bromo-5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)furan-3-sulfonamide
PubChem CID106081790
Molecular FormulaC11H13BrN4O4S
Molecular Weight377.22 g/mol
Exact Mass375.98
IUPAC Name2-bromo-5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)furan-3-sulfonamide
SMILESCCNCc1cc(S(=O)(=O)Nc2ccc(=O)[nH]n2)c(Br)o1
InChIInChI=1S/C11H13BrN4O4S/c1-2-13-6-7-5-8(11(12)20-7)21(18,19)16-9-3-4-10(17)15-14-9/h3-5,13H,2,6H2,1H3,(H,14,16)(H,15,17)
InChIKeyNEKQJQCRLQWBAG-UHFFFAOYSA-N
XLogP1.04
TPSA117.09 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.22
LogP ≤ 51.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide
CID 106081830
5-bromo-2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-sulfonamide
CID 116787848
2-bromo-5-(ethylaminomethyl)-N-(1H-1,2,4-triazol-5-ylmethyl)furan-3-sulfonamide
CID 106013304
2-bromo-N-(3-chloro-2-pyridinyl)-5-(ethylaminomethyl)furan-3-sulfonamide
CID 106086603
2-bromo-5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081796
2-bromo-5-(ethylaminomethyl)-N-(3-iodophenyl)furan-3-sulfonamide
CID 106029405
3-amino-5-bromo-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 114380367
2-bromo-5-(ethylaminomethyl)-N-(2-methylsulfanylethyl)furan-3-sulfonamide
CID 114141319
2-bromo-5-(propylaminomethyl)-N-pyridazin-3-ylfuran-3-sulfonamide
CID 106084083
2-bromo-5-(ethylaminomethyl)-N-(2-methoxy-2-methylpropyl)furan-3-sulfonamide
CID 106079980
2-bromo-5-(ethylaminomethyl)-N-(4-methoxybutan-2-yl)furan-3-sulfonamide
CID 106067533
1-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)propane-2-sulfonamide
CID 106081845

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)furan-3-sulfonamide?
The IUPAC name of 2-bromo-5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)furan-3-sulfonamide (CID 106081790) is 2-bromo-5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)furan-3-sulfonamide.
What is the SMILES notation for 2-bromo-5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)furan-3-sulfonamide?
The canonical SMILES for 2-bromo-5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)furan-3-sulfonamide is CCNCc1cc(S(=O)(=O)Nc2ccc(=O)[nH]n2)c(Br)o1.
What is the InChIKey of 2-bromo-5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)furan-3-sulfonamide?
The InChIKey is NEKQJQCRLQWBAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13BrN4O4S/c1-2-13-6-7-5-8(11(12)20-7)21(18,19)16-9-3-4-10(17)15-14-9/h3-5,13H,2,6H2,1H3,(H,14,16)(H,15,17).
What are the key properties of 2-bromo-5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)furan-3-sulfonamide?
2-bromo-5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)furan-3-sulfonamide has a molecular weight of 377.22 g/mol, XLogP of 1.04, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)furan-3-sulfonamide is sourced from PubChem (CID 106081790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).