N-[1-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]ethyl]methanesulfonamide

C17H17F2N5O2S — CID 135186453

IUPACN-[1-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)c1cc(-c2nc3cc(F)c(F)cc3n2C2CC2)cnn1
InChIInChI=1S/C17H17F2N5O2S/c1-9(23-27(2,25)26)14-5-10(8-20-22-14)17-21-15-6-12(18)13(19)7-16(15)24(17)11-3-4-11/h5-9,11,23H,3-4H2,1-2H3
InChIKeyIVELACXONAYLQT-UHFFFAOYSA-N
MW393.42 g/mol
LogP2.72
Rot. Bonds5

About N-[1-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]ethyl]methanesulfonamide

N-[1-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]ethyl]methanesulfonamide (PubChem CID 135186453) has the molecular formula C17H17F2N5O2S and a molecular weight of 393.42 g/mol. Its IUPAC name is N-[1-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]ethyl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]ethyl]methanesulfonamide
PubChem CID135186453
Molecular FormulaC17H17F2N5O2S
Molecular Weight393.42 g/mol
Exact Mass393.11
IUPAC NameN-[1-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]ethyl]methanesulfonamide
SMILESCC(NS(C)(=O)=O)c1cc(-c2nc3cc(F)c(F)cc3n2C2CC2)cnn1
InChIInChI=1S/C17H17F2N5O2S/c1-9(23-27(2,25)26)14-5-10(8-20-22-14)17-21-15-6-12(18)13(19)7-16(15)24(17)11-3-4-11/h5-9,11,23H,3-4H2,1-2H3
InChIKeyIVELACXONAYLQT-UHFFFAOYSA-N
XLogP2.72
TPSA89.77 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.42
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[1-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]ethyl]methanesulfonamide 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

N-((R)-1-(1-Ethyl-6-trifluoromethyl-1H-benzoimidazole-2-yl)ethyl)-1,3-dimethyl-1H-pyrazole-4-sulfonamide
CID 59177085
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methyl-1-propylpyrazole-4-sulfonamide
CID 59177115
1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]pyrazole-4-sulfonamide
CID 59177166
1-ethyl-N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-5-methylpyrazole-4-sulfonamide
CID 59177194
N-[(1R)-1-[1-ethyl-6-(trifluoromethyl)benzimidazol-2-yl]ethyl]-3-methyl-1-propylpyrazole-4-sulfonamide
CID 59177203
1-Cyclopropyl-2-(4-ethylpyrimidin-5-yl)-5,6-difluorobenzimidazole
CID 135185789
1-Cyclopropyl-5,6-difluoro-2-(4-propan-2-ylpyrimidin-5-yl)benzimidazole
CID 135185793
US10085984, Example 1
CID 135186252
US10766884, Example A04
CID 155903590
N-(2-(1-(Cyclopropylsulfonyl)-1H-pyrazol-4-yl)pyrimidin-4-yl)-1-isopropyl-2-methyl-1H-imidazo[4,5-c]pyridin-6-amine
CID 90183442
N-[4-[4-[[2-(2-fluorophenyl)imidazo[4,5-c]pyridin-5-yl]methyl]triazol-1-yl]phenyl]methanesulfonamide
CID 145987946
N-[(3S)-1-[7-methyl-5-[1-methyl-5-[4-(trifluoromethyl)phenyl]pyrazol-4-yl]imidazo[5,1-f][1,2,4]triazin-4-yl]pyrrolidin-3-yl]methanesulfonamide
CID 145991475

Frequently Asked Questions

What is the IUPAC name of N-[1-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]ethyl]methanesulfonamide?
The IUPAC name of N-[1-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]ethyl]methanesulfonamide (CID 135186453) is N-[1-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]ethyl]methanesulfonamide.
What is the SMILES notation for N-[1-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]ethyl]methanesulfonamide?
The canonical SMILES for N-[1-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]ethyl]methanesulfonamide is CC(NS(C)(=O)=O)c1cc(-c2nc3cc(F)c(F)cc3n2C2CC2)cnn1.
What is the InChIKey of N-[1-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]ethyl]methanesulfonamide?
The InChIKey is IVELACXONAYLQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17F2N5O2S/c1-9(23-27(2,25)26)14-5-10(8-20-22-14)17-21-15-6-12(18)13(19)7-16(15)24(17)11-3-4-11/h5-9,11,23H,3-4H2,1-2H3.
What are the key properties of N-[1-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]ethyl]methanesulfonamide?
N-[1-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]ethyl]methanesulfonamide has a molecular weight of 393.42 g/mol, XLogP of 2.72, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[5-(1-cyclopropyl-5,6-difluorobenzimidazol-2-yl)pyridazin-3-yl]ethyl]methanesulfonamide is sourced from PubChem (CID 135186453), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).