4-[5-(7-cyclopropylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide

C21H18FN5O2S — CID 91801272

IUPAC4-[5-(7-cyclopropylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)cc1
InChIInChI=1S/C21H18FN5O2S/c1-23-30(28,29)16-7-2-13(3-8-16)17-10-14(4-9-19(17)22)18-11-25-26-21-20(18)24-12-27(21)15-5-6-15/h2-4,7-12,15,23H,5-6H2,1H3
InChIKeyUGSGONUQALTCTR-UHFFFAOYSA-N
MW423.47 g/mol
LogP3.54
Rot. Bonds5

About 4-[5-(7-cyclopropylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide

4-[5-(7-cyclopropylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide (PubChem CID 91801272) has the molecular formula C21H18FN5O2S and a molecular weight of 423.47 g/mol. Its IUPAC name is 4-[5-(7-cyclopropylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide.

Molecular Properties

Compound Name4-[5-(7-cyclopropylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide
PubChem CID91801272
Molecular FormulaC21H18FN5O2S
Molecular Weight423.47 g/mol
Exact Mass423.12
IUPAC Name4-[5-(7-cyclopropylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide
SMILESCNS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)cc1
InChIInChI=1S/C21H18FN5O2S/c1-23-30(28,29)16-7-2-13(3-8-16)17-10-14(4-9-19(17)22)18-11-25-26-21-20(18)24-12-27(21)15-5-6-15/h2-4,7-12,15,23H,5-6H2,1H3
InChIKeyUGSGONUQALTCTR-UHFFFAOYSA-N
XLogP3.54
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.47
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[5-(7-cyclopropylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide
CID 90218309
4-[3-(4-ethylsulfonylphenyl)-4-fluorophenyl]-7-propylimidazo[4,5-c]pyridazine
CID 90224612
4-[3-(4-cyclopropylsulfonyl-2-methoxyphenyl)-4-fluorophenyl]-7-ethylimidazo[4,5-c]pyridazine
CID 90218258
3-[5-(7-ethylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzamide
CID 130200333
CID 147231578
CID 147231578
7-ethyl-4-[4-fluoro-3-[4-methoxy-1-(oxetan-3-yl)benzimidazol-5-yl]phenyl]imidazo[4,5-c]pyridazine
CID 175489142
7-ethyl-4-[4-fluoro-3-[2-methoxy-4-[(1S)-1-methylsulfonylethyl]phenyl]phenyl]imidazo[4,5-c]pyridazine
CID 175946639
3-(3-cyclopropylbenzimidazol-5-yl)-N-methyl-4-[4-(trifluoromethyl)phenoxy]benzenesulfonamide
CID 171049334
7-ethyl-4-[3-(1-ethylsulfonyl-6-methoxyindazol-5-yl)-4-fluorophenyl]imidazo[4,5-c]pyridazine
CID 170334649
3-cyclopropyl-8-[4-(1,1-difluoroethyl)phenyl]-5-fluoropyrido[4,3-d]pyrimidin-4-one
CID 169259170
3-cyclopropyl-5-fluoro-8-[4-(trifluoromethyl)phenyl]pyrido[4,3-d]pyrimidin-4-one
CID 169259165
N-cyclopentyl-4-(2,4-difluorophenyl)benzenesulfonamide;methanol
CID 143959250

Frequently Asked Questions

What is the IUPAC name of 4-[5-(7-cyclopropylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide?
The IUPAC name of 4-[5-(7-cyclopropylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide (CID 91801272) is 4-[5-(7-cyclopropylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide.
What is the SMILES notation for 4-[5-(7-cyclopropylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide?
The canonical SMILES for 4-[5-(7-cyclopropylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide is CNS(=O)(=O)c1ccc(-c2cc(-c3cnnc4c3ncn4C3CC3)ccc2F)cc1.
What is the InChIKey of 4-[5-(7-cyclopropylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide?
The InChIKey is UGSGONUQALTCTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18FN5O2S/c1-23-30(28,29)16-7-2-13(3-8-16)17-10-14(4-9-19(17)22)18-11-25-26-21-20(18)24-12-27(21)15-5-6-15/h2-4,7-12,15,23H,5-6H2,1H3.
What are the key properties of 4-[5-(7-cyclopropylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide?
4-[5-(7-cyclopropylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide has a molecular weight of 423.47 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(7-cyclopropylimidazo[4,5-c]pyridazin-4-yl)-2-fluorophenyl]-N-methylbenzenesulfonamide is sourced from PubChem (CID 91801272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).