3,5-difluoro-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide

C18H20F2N6O2S — CID 122323949

IUPAC3,5-difluoro-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
SMILESCc1nn(-c2ccc(NCCNS(=O)(=O)c3cc(F)cc(F)c3)nn2)c(C)c1C
InChIInChI=1S/C18H20F2N6O2S/c1-11-12(2)25-26(13(11)3)18-5-4-17(23-24-18)21-6-7-22-29(27,28)16-9-14(19)8-15(20)10-16/h4-5,8-10,22H,6-7H2,1-3H3,(H,21,23)
InChIKeyYUAJWGJAPKYUGT-UHFFFAOYSA-N
MW422.46 g/mol
LogP2.26
Rot. Bonds7

About 3,5-difluoro-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide

3,5-difluoro-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide (PubChem CID 122323949) has the molecular formula C18H20F2N6O2S and a molecular weight of 422.46 g/mol. Its IUPAC name is 3,5-difluoro-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name3,5-difluoro-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
PubChem CID122323949
Molecular FormulaC18H20F2N6O2S
Molecular Weight422.46 g/mol
Exact Mass422.13
IUPAC Name3,5-difluoro-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
SMILESCc1nn(-c2ccc(NCCNS(=O)(=O)c3cc(F)cc(F)c3)nn2)c(C)c1C
InChIInChI=1S/C18H20F2N6O2S/c1-11-12(2)25-26(13(11)3)18-5-4-17(23-24-18)21-6-7-22-29(27,28)16-9-14(19)8-15(20)10-16/h4-5,8-10,22H,6-7H2,1-3H3,(H,21,23)
InChIKeyYUAJWGJAPKYUGT-UHFFFAOYSA-N
XLogP2.26
TPSA101.80 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.46
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-fluoro-4-methoxy-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122323958
2,4-dimethyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 122323705
N-[3-methyl-4-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethylsulfamoyl]phenyl]acetamide
CID 122323971
3,5-difluoro-N-[2-[(6-pyrazol-1-ylpyridazin-3-yl)amino]ethyl]benzenesulfonamide
CID 122292893
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide
CID 16654431
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-5-fluoro-2-methylbenzenesulfonamide
CID 56699508
3-chloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-4-fluorobenzenesulfonamide
CID 122293201
N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-4-phenylbenzenesulfonamide
CID 122293009
1,3,5-trimethyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]pyrazole-4-carboxamide
CID 122323865
3-chloro-N-[2-[[6-(3,5-dimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]-4-methylbenzenesulfonamide
CID 122293264
4-propyl-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]thiadiazole-5-carboxamide
CID 122323766
2-(2-fluorophenoxy)-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]acetamide
CID 122323796

Frequently Asked Questions

What is the IUPAC name of 3,5-difluoro-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 3,5-difluoro-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide (CID 122323949) is 3,5-difluoro-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 3,5-difluoro-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 3,5-difluoro-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide is Cc1nn(-c2ccc(NCCNS(=O)(=O)c3cc(F)cc(F)c3)nn2)c(C)c1C.
What is the InChIKey of 3,5-difluoro-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is YUAJWGJAPKYUGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F2N6O2S/c1-11-12(2)25-26(13(11)3)18-5-4-17(23-24-18)21-6-7-22-29(27,28)16-9-14(19)8-15(20)10-16/h4-5,8-10,22H,6-7H2,1-3H3,(H,21,23).
What are the key properties of 3,5-difluoro-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide?
3,5-difluoro-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 422.46 g/mol, XLogP of 2.26, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-difluoro-N-[2-[[6-(3,4,5-trimethylpyrazol-1-yl)pyridazin-3-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 122323949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).