5-chloro-2,4-difluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide

C12H10ClF2N3O3S — CID 59436602

IUPAC5-chloro-2,4-difluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide
SMILESCOCN(c1cccnn1)S(=O)(=O)c1cc(Cl)c(F)cc1F
InChIInChI=1S/C12H10ClF2N3O3S/c1-21-7-18(12-3-2-4-16-17-12)22(19,20)11-5-8(13)9(14)6-10(11)15/h2-6H,7H2,1H3
InChIKeyYKUMKYWZSVIEKB-UHFFFAOYSA-N
MW349.75 g/mol
LogP2.21
Rot. Bonds5

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

5-chloro-2,4-difluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide (PubChem CID 59436602) has the molecular formula C12H10ClF2N3O3S and a molecular weight of 349.75 g/mol. Its IUPAC name is 5-chloro-2,4-difluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide.

Molecular Properties

Compound Name5-chloro-2,4-difluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide
PubChem CID59436602
Molecular FormulaC12H10ClF2N3O3S
Molecular Weight349.75 g/mol
Exact Mass349.01
IUPAC Name5-chloro-2,4-difluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide
SMILESCOCN(c1cccnn1)S(=O)(=O)c1cc(Cl)c(F)cc1F
InChIInChI=1S/C12H10ClF2N3O3S/c1-21-7-18(12-3-2-4-16-17-12)22(19,20)11-5-8(13)9(14)6-10(11)15/h2-6H,7H2,1H3
InChIKeyYKUMKYWZSVIEKB-UHFFFAOYSA-N
XLogP2.21
TPSA72.39 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.75
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2,4-difluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide?
The IUPAC name of 5-chloro-2,4-difluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide (CID 59436602) is 5-chloro-2,4-difluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide.
What is the SMILES notation for 5-chloro-2,4-difluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide?
The canonical SMILES for 5-chloro-2,4-difluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide is COCN(c1cccnn1)S(=O)(=O)c1cc(Cl)c(F)cc1F.
What is the InChIKey of 5-chloro-2,4-difluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide?
The InChIKey is YKUMKYWZSVIEKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClF2N3O3S/c1-21-7-18(12-3-2-4-16-17-12)22(19,20)11-5-8(13)9(14)6-10(11)15/h2-6H,7H2,1H3.
What are the key properties of 5-chloro-2,4-difluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide?
5-chloro-2,4-difluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide has a molecular weight of 349.75 g/mol, XLogP of 2.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2,4-difluoro-N-(methoxymethyl)-N-pyridazin-3-ylbenzenesulfonamide is sourced from PubChem (CID 59436602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).