5-chloro-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide

C10H6ClF2N3O2S — CID 59436556

IUPAC5-chloro-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnn1)c1cc(Cl)c(F)cc1F
InChIInChI=1S/C10H6ClF2N3O2S/c11-6-4-9(8(13)5-7(6)12)19(17,18)16-10-2-1-3-14-15-10/h1-5H,(H,15,16)
InChIKeyQIMKEDIDTYLFPT-UHFFFAOYSA-N
MW305.69 g/mol
LogP2.21
Rot. Bonds3

About 5-chloro-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide

5-chloro-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 59436556) has the molecular formula C10H6ClF2N3O2S and a molecular weight of 305.69 g/mol. Its IUPAC name is 5-chloro-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID59436556
Molecular FormulaC10H6ClF2N3O2S
Molecular Weight305.69 g/mol
Exact Mass304.98
IUPAC Name5-chloro-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide
SMILESO=S(=O)(Nc1cccnn1)c1cc(Cl)c(F)cc1F
InChIInChI=1S/C10H6ClF2N3O2S/c11-6-4-9(8(13)5-7(6)12)19(17,18)16-10-2-1-3-14-15-10/h1-5H,(H,15,16)
InChIKeyQIMKEDIDTYLFPT-UHFFFAOYSA-N
XLogP2.21
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.69
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

5-(aminomethyl)-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 106084095
2,4-dichloro-5-(pyridazin-3-ylsulfamoyl)benzoic acid
CID 116786407
5-amino-3-fluoro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 116786202
3-amino-5-chloro-2-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 114380364
5-amino-3-bromo-2-fluoro-N-pyridazin-3-ylbenzenesulfonamide
CID 116786168
2,4-dimethyl-5-(pyridazin-3-ylsulfamoyl)benzoic acid
CID 116786417
5-chloro-6-hydrazinyl-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 116787298
4-fluoro-3-(methylaminomethyl)-N-pyridazin-3-ylbenzenesulfonamide
CID 106084156
5-hydrazinyl-2-nitro-N-pyridazin-3-ylbenzenesulfonamide
CID 116787296
5-amino-N-(3-chloro-2-pyridinyl)-2,4-difluorobenzenesulfonamide
CID 103093987
2-methoxy-5-methyl-N-pyridazin-3-ylbenzenesulfonamide
CID 123681136
2-cyano-N-pyridazin-3-ylpyridine-3-sulfonamide
CID 106596256

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 5-chloro-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide (CID 59436556) is 5-chloro-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 5-chloro-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide is O=S(=O)(Nc1cccnn1)c1cc(Cl)c(F)cc1F.
What is the InChIKey of 5-chloro-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is QIMKEDIDTYLFPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClF2N3O2S/c11-6-4-9(8(13)5-7(6)12)19(17,18)16-10-2-1-3-14-15-10/h1-5H,(H,15,16).
What are the key properties of 5-chloro-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide?
5-chloro-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 305.69 g/mol, XLogP of 2.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-difluoro-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 59436556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).