4-fluoro-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide

C16H20FN5O2S — CID 113040294

IUPAC4-fluoro-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)nn2)ccc1F
InChIInChI=1S/C16H20FN5O2S/c1-12-11-13(3-4-14(12)17)25(23,24)20-15-5-6-16(19-18-15)22-9-7-21(2)8-10-22/h3-6,11H,7-10H2,1-2H3,(H,18,20)
InChIKeyMATRPWNLOFTLLC-UHFFFAOYSA-N
MW365.43 g/mol
LogP1.48
Rot. Bonds4

About 4-fluoro-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide

4-fluoro-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide (PubChem CID 113040294) has the molecular formula C16H20FN5O2S and a molecular weight of 365.43 g/mol. Its IUPAC name is 4-fluoro-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-fluoro-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide
PubChem CID113040294
Molecular FormulaC16H20FN5O2S
Molecular Weight365.43 g/mol
Exact Mass365.13
IUPAC Name4-fluoro-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide
SMILESCc1cc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)nn2)ccc1F
InChIInChI=1S/C16H20FN5O2S/c1-12-11-13(3-4-14(12)17)25(23,24)20-15-5-6-16(19-18-15)22-9-7-21(2)8-10-22/h3-6,11H,7-10H2,1-2H3,(H,18,20)
InChIKeyMATRPWNLOFTLLC-UHFFFAOYSA-N
XLogP1.48
TPSA78.43 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-fluoro-3-methyl-N-[5-(4-methylpiperazin-1-yl)-2-pyridinyl]benzenesulfonamide
CID 113025897
3,4-dimethoxy-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113040299
4-fluoro-N-[6-(2-fluoroanilino)pyridazin-3-yl]-3-methylbenzenesulfonamide
CID 113047218
4-fluoro-3-methyl-N-(5-piperidin-1-yl-2-pyridinyl)benzenesulfonamide
CID 113024649
N-[6-(azepan-1-yl)pyridazin-3-yl]-3,4-dimethoxybenzenesulfonamide
CID 113045402
4-chloro-N-[6-(4-methylpiperidin-1-yl)pyridazin-3-yl]benzenesulfonamide
CID 113039262
N-[6-(azepan-1-yl)pyridazin-3-yl]-2-oxo-1,3-dihydroindole-5-sulfonamide
CID 113045419
4-fluoro-3-methyl-N-[4-methyl-3-(4-methylpiperazin-1-yl)sulfonylphenyl]benzenesulfonamide
CID 100696551
1-(4-fluoro-3-methylphenyl)sulfonyl-4-methylpiperazine
CID 43845541
N-[6-(azepan-1-yl)pyridazin-3-yl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 113045406
N-[6-(3,4-difluoroanilino)pyridazin-3-yl]-3,4-dimethylbenzenesulfonamide
CID 113051684
3-[4-(4-fluoro-3-methylphenyl)sulfonylpiperazin-1-yl]-6-phenylpyridazine
CID 42110748

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide?
The IUPAC name of 4-fluoro-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide (CID 113040294) is 4-fluoro-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-fluoro-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide?
The canonical SMILES for 4-fluoro-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide is Cc1cc(S(=O)(=O)Nc2ccc(N3CCN(C)CC3)nn2)ccc1F.
What is the InChIKey of 4-fluoro-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide?
The InChIKey is MATRPWNLOFTLLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O2S/c1-12-11-13(3-4-14(12)17)25(23,24)20-15-5-6-16(19-18-15)22-9-7-21(2)8-10-22/h3-6,11H,7-10H2,1-2H3,(H,18,20).
What are the key properties of 4-fluoro-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide?
4-fluoro-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide has a molecular weight of 365.43 g/mol, XLogP of 1.48, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-methyl-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzenesulfonamide is sourced from PubChem (CID 113040294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).