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

C20H18F3N5O3S — CID 126507772

IUPACN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1cccc2c1cnn2C
InChIInChI=1S/C20H18F3N5O3S/c1-3-32(29,30)28(17-6-4-5-16-14(17)10-24-27(16)2)11-13-8-7-12(9-15(13)21)19-25-26-20(31-19)18(22)23/h4-10,18H,3,11H2,1-2H3
InChIKeyRYPPXKSJROMZGT-UHFFFAOYSA-N
MW465.46 g/mol
LogP4.06
Rot. Bonds7

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

N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-4-yl)ethanesulfonamide (PubChem CID 126507772) has the molecular formula C20H18F3N5O3S and a molecular weight of 465.46 g/mol. Its IUPAC name is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-4-yl)ethanesulfonamide.

Molecular Properties

Compound NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-4-yl)ethanesulfonamide
PubChem CID126507772
Molecular FormulaC20H18F3N5O3S
Molecular Weight465.46 g/mol
Exact Mass465.11
IUPAC NameN-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-4-yl)ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1cccc2c1cnn2C
InChIInChI=1S/C20H18F3N5O3S/c1-3-32(29,30)28(17-6-4-5-16-14(17)10-24-27(16)2)11-13-8-7-12(9-15(13)21)19-25-26-20(31-19)18(22)23/h4-10,18H,3,11H2,1-2H3
InChIKeyRYPPXKSJROMZGT-UHFFFAOYSA-N
XLogP4.06
TPSA94.12 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-4-yl)ethanesulfonamide?
The IUPAC name of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-4-yl)ethanesulfonamide (CID 126507772) is N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-4-yl)ethanesulfonamide.
What is the SMILES notation for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-4-yl)ethanesulfonamide?
The canonical SMILES for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-4-yl)ethanesulfonamide is CCS(=O)(=O)N(Cc1ccc(-c2nnc(C(F)F)o2)cc1F)c1cccc2c1cnn2C.
What is the InChIKey of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-4-yl)ethanesulfonamide?
The InChIKey is RYPPXKSJROMZGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O3S/c1-3-32(29,30)28(17-6-4-5-16-14(17)10-24-27(16)2)11-13-8-7-12(9-15(13)21)19-25-26-20(31-19)18(22)23/h4-10,18H,3,11H2,1-2H3.
What are the key properties of N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-4-yl)ethanesulfonamide?
N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-4-yl)ethanesulfonamide has a molecular weight of 465.46 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-2-fluorophenyl]methyl]-N-(1-methylindazol-4-yl)ethanesulfonamide is sourced from PubChem (CID 126507772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).