5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide

C11H11FN4O2S — CID 116786202

IUPAC5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C11H11FN4O2S/c1-7-9(12)5-8(13)6-10(7)19(17,18)16-11-3-2-4-14-15-11/h2-6H,13H2,1H3,(H,15,16)
InChIKeyWEIPWTOANUHNLH-UHFFFAOYSA-N
MW282.30 g/mol
LogP1.31
Rot. Bonds3

About 5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide

5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 116786202) has the molecular formula C11H11FN4O2S and a molecular weight of 282.30 g/mol. Its IUPAC name is 5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID116786202
Molecular FormulaC11H11FN4O2S
Molecular Weight282.30 g/mol
Exact Mass282.06
IUPAC Name5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
SMILESCc1c(F)cc(N)cc1S(=O)(=O)Nc1cccnn1
InChIInChI=1S/C11H11FN4O2S/c1-7-9(12)5-8(13)6-10(7)19(17,18)16-11-3-2-4-14-15-11/h2-6H,13H2,1H3,(H,15,16)
InChIKeyWEIPWTOANUHNLH-UHFFFAOYSA-N
XLogP1.31
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.30
LogP ≤ 51.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 116786168
3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 114380364
5-amino-N-(4,6-dimethyl-2-pyridinyl)-3-fluoro-2-methylbenzenesulfonamide
CID 114931837
5-amino-3-fluoro-N-(1H-imidazol-2-yl)-2-methylbenzenesulfonamide
CID 79895976
5-chloro-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 59436556
5-amino-3-fluoro-N-(3-fluorophenyl)-2-methylbenzenesulfonamide
CID 79896534
5-amino-3-fluoro-2-methyl-N-(3-methyl-4-pyridinyl)benzenesulfonamide
CID 79896756
5-(aminomethyl)-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 106084095
5-amino-3-fluoro-2-methyl-N-(4-methyl-3-pyridinyl)benzenesulfonamide
CID 79897021
5-amino-N-(4,6-dimethylpyrimidin-2-yl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898902
5-amino-3-fluoro-N,2-dimethylbenzenesulfonamide
CID 79897066
5-amino-N-(3,5-difluorophenyl)-3-fluoro-2-methylbenzenesulfonamide
CID 79898624

Frequently Asked Questions

What is the IUPAC name of 5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide (CID 116786202) is 5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide is Cc1c(F)cc(N)cc1S(=O)(=O)Nc1cccnn1.
What is the InChIKey of 5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is WEIPWTOANUHNLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN4O2S/c1-7-9(12)5-8(13)6-10(7)19(17,18)16-11-3-2-4-14-15-11/h2-6H,13H2,1H3,(H,15,16).
What are the key properties of 5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide?
5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 282.30 g/mol, XLogP of 1.31, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 116786202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).