N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide

C19H18F2N6O3S — CID 126507616

IUPACN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1ccc2cnn(C)c2c1
InChIInChI=1S/C19H18F2N6O3S/c1-3-31(28,29)27(15-7-5-12-10-23-26(2)16(12)8-15)11-14-6-4-13(9-22-14)18-24-25-19(30-18)17(20)21/h4-10,17H,3,11H2,1-2H3
InChIKeyUHEUWPZGIOUNBZ-UHFFFAOYSA-N
MW448.46 g/mol
LogP3.31
Rot. Bonds7

About N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide

N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide (PubChem CID 126507616) has the molecular formula C19H18F2N6O3S and a molecular weight of 448.46 g/mol. Its IUPAC name is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide
PubChem CID126507616
Molecular FormulaC19H18F2N6O3S
Molecular Weight448.46 g/mol
Exact Mass448.11
IUPAC NameN-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1ccc2cnn(C)c2c1
InChIInChI=1S/C19H18F2N6O3S/c1-3-31(28,29)27(15-7-5-12-10-23-26(2)16(12)8-15)11-14-6-4-13(9-22-14)18-24-25-19(30-18)17(20)21/h4-10,17H,3,11H2,1-2H3
InChIKeyUHEUWPZGIOUNBZ-UHFFFAOYSA-N
XLogP3.31
TPSA107.01 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.46
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]triazol-2-yl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide
CID 175834485
N-(3,4-difluorophenyl)-N-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]methyl]ethanesulfonamide
CID 126541416
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-7-yl)ethanesulfinamide
CID 145238985
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(3,5-difluorophenyl)ethanesulfonamide;N-[2-[6-[(N-ethylsulfonyl-3,5-difluoroanilino)methyl]-3-pyridinyl]-2-oxoethyl]-2,2-difluoroacetamide
CID 158873587
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-ethylsulfanyl-1-methylindazol-4-amine
CID 145238487
N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide;N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-[4-[(4-methylsulfonylpiperazin-1-yl)methyl]phenyl]ethanesulfonamide
CID 158268024
N-(3-chloro-4-fluorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]piperidine-4-sulfonamide
CID 175811436
N-(3-chloro-4-methylphenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]ethanesulfinamide
CID 145239055
N-[[5-(2-aminoacetyl)-2-pyridinyl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide;methyl 6-[[ethylsulfonyl-(1-methylindazol-6-yl)amino]methyl]pyridine-3-carboxylate
CID 159949935
N-(3-chlorophenyl)-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3,4-dimethylpiperazine-1-sulfonamide
CID 126508346
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-phenylpiperidine-4-sulfonamide;dihydrochloride
CID 126507113
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-3-(3,3-difluoropyrrolidin-1-yl)-N-phenylpropane-1-sulfonamide
CID 126508054

Frequently Asked Questions

What is the IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide?
The IUPAC name of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide (CID 126507616) is N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide.
What is the SMILES notation for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide?
The canonical SMILES for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide is CCS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cn1)c1ccc2cnn(C)c2c1.
What is the InChIKey of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide?
The InChIKey is UHEUWPZGIOUNBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F2N6O3S/c1-3-31(28,29)27(15-7-5-12-10-23-26(2)16(12)8-15)11-14-6-4-13(9-22-14)18-24-25-19(30-18)17(20)21/h4-10,17H,3,11H2,1-2H3.
What are the key properties of N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide?
N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide has a molecular weight of 448.46 g/mol, XLogP of 3.31, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-pyridinyl]methyl]-N-(1-methylindazol-6-yl)ethanesulfonamide is sourced from PubChem (CID 126507616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).