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

C17H16F2N4O3S — CID 126541416

IUPACN-(3,4-difluorophenyl)-N-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ccc(-c2nnc(C)o2)cn1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H16F2N4O3S/c1-3-27(24,25)23(14-6-7-15(18)16(19)8-14)10-13-5-4-12(9-20-13)17-22-21-11(2)26-17/h4-9H,3,10H2,1-2H3
InChIKeyPVWKNJMYHPXWDZ-UHFFFAOYSA-N
MW394.40 g/mol
LogP3.07
Rot. Bonds6

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

N-(3,4-difluorophenyl)-N-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]methyl]ethanesulfonamide (PubChem CID 126541416) has the molecular formula C17H16F2N4O3S and a molecular weight of 394.40 g/mol. Its IUPAC name is N-(3,4-difluorophenyl)-N-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]methyl]ethanesulfonamide.

Molecular Properties

Compound NameN-(3,4-difluorophenyl)-N-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]methyl]ethanesulfonamide
PubChem CID126541416
Molecular FormulaC17H16F2N4O3S
Molecular Weight394.40 g/mol
Exact Mass394.09
IUPAC NameN-(3,4-difluorophenyl)-N-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]methyl]ethanesulfonamide
SMILESCCS(=O)(=O)N(Cc1ccc(-c2nnc(C)o2)cn1)c1ccc(F)c(F)c1
InChIInChI=1S/C17H16F2N4O3S/c1-3-27(24,25)23(14-6-7-15(18)16(19)8-14)10-13-5-4-12(9-20-13)17-22-21-11(2)26-17/h4-9H,3,10H2,1-2H3
InChIKeyPVWKNJMYHPXWDZ-UHFFFAOYSA-N
XLogP3.07
TPSA89.19 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.40
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-difluorophenyl)-N-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]methyl]ethanesulfonamide?
The IUPAC name of N-(3,4-difluorophenyl)-N-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]methyl]ethanesulfonamide (CID 126541416) is N-(3,4-difluorophenyl)-N-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]methyl]ethanesulfonamide.
What is the SMILES notation for N-(3,4-difluorophenyl)-N-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]methyl]ethanesulfonamide?
The canonical SMILES for N-(3,4-difluorophenyl)-N-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]methyl]ethanesulfonamide is CCS(=O)(=O)N(Cc1ccc(-c2nnc(C)o2)cn1)c1ccc(F)c(F)c1.
What is the InChIKey of N-(3,4-difluorophenyl)-N-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]methyl]ethanesulfonamide?
The InChIKey is PVWKNJMYHPXWDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16F2N4O3S/c1-3-27(24,25)23(14-6-7-15(18)16(19)8-14)10-13-5-4-12(9-20-13)17-22-21-11(2)26-17/h4-9H,3,10H2,1-2H3.
What are the key properties of N-(3,4-difluorophenyl)-N-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]methyl]ethanesulfonamide?
N-(3,4-difluorophenyl)-N-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]methyl]ethanesulfonamide has a molecular weight of 394.40 g/mol, XLogP of 3.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-difluorophenyl)-N-[[5-(5-methyl-1,3,4-oxadiazol-2-yl)-2-pyridinyl]methyl]ethanesulfonamide is sourced from PubChem (CID 126541416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).