2-bromo-5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

C12H13BrN4O3S — CID 106081796

IUPAC2-bromo-5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESCNCc1ccc(Br)c(S(=O)(=O)Nc2ccc(=O)[nH]n2)c1
InChIInChI=1S/C12H13BrN4O3S/c1-14-7-8-2-3-9(13)10(6-8)21(19,20)17-11-4-5-12(18)16-15-11/h2-6,14H,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyKCSYEJORFUDADC-UHFFFAOYSA-N
MW373.23 g/mol
LogP1.05
Rot. Bonds5

About 2-bromo-5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide

2-bromo-5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (PubChem CID 106081796) has the molecular formula C12H13BrN4O3S and a molecular weight of 373.23 g/mol. Its IUPAC name is 2-bromo-5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
PubChem CID106081796
Molecular FormulaC12H13BrN4O3S
Molecular Weight373.23 g/mol
Exact Mass371.99
IUPAC Name2-bromo-5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
SMILESCNCc1ccc(Br)c(S(=O)(=O)Nc2ccc(=O)[nH]n2)c1
InChIInChI=1S/C12H13BrN4O3S/c1-14-7-8-2-3-9(13)10(6-8)21(19,20)17-11-4-5-12(18)16-15-11/h2-6,14H,7H2,1H3,(H,15,17)(H,16,18)
InChIKeyKCSYEJORFUDADC-UHFFFAOYSA-N
XLogP1.05
TPSA103.95 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.23
LogP ≤ 51.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-bromo-5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide 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

3-amino-5-bromo-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 114380367
5-bromo-2-(ethylamino)-N-(6-oxo-1H-pyridazin-3-yl)pyridine-3-sulfonamide
CID 116787848
5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)thiophene-3-sulfonamide
CID 106081746
2-bromo-5-(ethylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)furan-3-sulfonamide
CID 106081790
5-methyl-3-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)-1H-pyrazole-4-sulfonamide
CID 106081725
5-(aminomethyl)-2,3-dimethyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 106081824
2-bromo-5-(methylaminomethyl)-N-(1,2-oxazol-5-ylmethyl)benzenesulfonamide
CID 106424019
5-amino-2,3-difluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786255
2-bromo-5-(methylaminomethyl)-N-(1-methylcyclopropyl)benzenesulfonamide
CID 113486176
N-(5-bromo-2-pyridinyl)-2-fluoro-4-(methylaminomethyl)benzenesulfonamide
CID 106020720
4-amino-2-fluoro-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786251
4-amino-2-methyl-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide
CID 116786258

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide (CID 106081796) is 2-bromo-5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is CNCc1ccc(Br)c(S(=O)(=O)Nc2ccc(=O)[nH]n2)c1.
What is the InChIKey of 2-bromo-5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
The InChIKey is KCSYEJORFUDADC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13BrN4O3S/c1-14-7-8-2-3-9(13)10(6-8)21(19,20)17-11-4-5-12(18)16-15-11/h2-6,14H,7H2,1H3,(H,15,17)(H,16,18).
What are the key properties of 2-bromo-5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide?
2-bromo-5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide has a molecular weight of 373.23 g/mol, XLogP of 1.05, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(methylaminomethyl)-N-(6-oxo-1H-pyridazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 106081796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).