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

C15H13F4N5O4S2 — CID 156525565

IUPACN-[6-(difluoromethoxy)-3-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)F)o2)s1)c1ccc(OC(F)F)nc1
InChIInChI=1S/C15H13F4N5O4S2/c1-2-30(25,26)24(8-3-4-10(20-5-8)27-15(18)19)7-11-21-6-9(29-11)13-22-23-14(28-13)12(16)17/h3-6,12,15H,2,7H2,1H3
InChIKeyLPSQXZJBJLGWOW-UHFFFAOYSA-N
MW467.43 g/mol
LogP3.48
Rot. Bonds9

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

N-[6-(difluoromethoxy)-3-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide (PubChem CID 156525565) has the molecular formula C15H13F4N5O4S2 and a molecular weight of 467.43 g/mol. Its IUPAC name is N-[6-(difluoromethoxy)-3-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-[6-(difluoromethoxy)-3-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide
PubChem CID156525565
Molecular FormulaC15H13F4N5O4S2
Molecular Weight467.43 g/mol
Exact Mass467.03
IUPAC NameN-[6-(difluoromethoxy)-3-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)F)o2)s1)c1ccc(OC(F)F)nc1
InChIInChI=1S/C15H13F4N5O4S2/c1-2-30(25,26)24(8-3-4-10(20-5-8)27-15(18)19)7-11-21-6-9(29-11)13-22-23-14(28-13)12(16)17/h3-6,12,15H,2,7H2,1H3
InChIKeyLPSQXZJBJLGWOW-UHFFFAOYSA-N
XLogP3.48
TPSA111.31 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.43
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[6-(difluoromethoxy)-3-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide?
The IUPAC name of N-[6-(difluoromethoxy)-3-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide (CID 156525565) is N-[6-(difluoromethoxy)-3-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide.
What is the SMILES notation for N-[6-(difluoromethoxy)-3-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide?
The canonical SMILES for N-[6-(difluoromethoxy)-3-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide is CCS(=O)(=O)N(Cc1ncc(-c2nnc(C(F)F)o2)s1)c1ccc(OC(F)F)nc1.
What is the InChIKey of N-[6-(difluoromethoxy)-3-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide?
The InChIKey is LPSQXZJBJLGWOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F4N5O4S2/c1-2-30(25,26)24(8-3-4-10(20-5-8)27-15(18)19)7-11-21-6-9(29-11)13-22-23-14(28-13)12(16)17/h3-6,12,15H,2,7H2,1H3.
What are the key properties of N-[6-(difluoromethoxy)-3-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide?
N-[6-(difluoromethoxy)-3-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide has a molecular weight of 467.43 g/mol, XLogP of 3.48, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[6-(difluoromethoxy)-3-pyridinyl]-N-[[5-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]-1,3-thiazol-2-yl]methyl]ethanesulfonamide is sourced from PubChem (CID 156525565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).