N-[[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-5-yl]methyl]-N-phenylmethanesulfonamide

C15H13F2N5O3S — CID 126507712

IUPACN-[[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-5-yl]methyl]-N-phenylmethanesulfonamide
SMILESCS(=O)(=O)N(Cc1cnc(-c2nnc(C(F)F)o2)nc1)c1ccccc1
InChIInChI=1S/C15H13F2N5O3S/c1-26(23,24)22(11-5-3-2-4-6-11)9-10-7-18-13(19-8-10)15-21-20-14(25-15)12(16)17/h2-8,12H,9H2,1H3
InChIKeyUVTJZVGYEACPCM-UHFFFAOYSA-N
MW381.36 g/mol
LogP2.43
Rot. Bonds6

About N-[[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-5-yl]methyl]-N-phenylmethanesulfonamide

N-[[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-5-yl]methyl]-N-phenylmethanesulfonamide (PubChem CID 126507712) has the molecular formula C15H13F2N5O3S and a molecular weight of 381.36 g/mol. Its IUPAC name is N-[[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-5-yl]methyl]-N-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-5-yl]methyl]-N-phenylmethanesulfonamide
PubChem CID126507712
Molecular FormulaC15H13F2N5O3S
Molecular Weight381.36 g/mol
Exact Mass381.07
IUPAC NameN-[[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-5-yl]methyl]-N-phenylmethanesulfonamide
SMILESCS(=O)(=O)N(Cc1cnc(-c2nnc(C(F)F)o2)nc1)c1ccccc1
InChIInChI=1S/C15H13F2N5O3S/c1-26(23,24)22(11-5-3-2-4-6-11)9-10-7-18-13(19-8-10)15-21-20-14(25-15)12(16)17/h2-8,12H,9H2,1H3
InChIKeyUVTJZVGYEACPCM-UHFFFAOYSA-N
XLogP2.43
TPSA102.08 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.36
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-5-yl]methyl]-N-phenylmethanesulfonamide?
The IUPAC name of N-[[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-5-yl]methyl]-N-phenylmethanesulfonamide (CID 126507712) is N-[[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-5-yl]methyl]-N-phenylmethanesulfonamide.
What is the SMILES notation for N-[[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-5-yl]methyl]-N-phenylmethanesulfonamide?
The canonical SMILES for N-[[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-5-yl]methyl]-N-phenylmethanesulfonamide is CS(=O)(=O)N(Cc1cnc(-c2nnc(C(F)F)o2)nc1)c1ccccc1.
What is the InChIKey of N-[[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-5-yl]methyl]-N-phenylmethanesulfonamide?
The InChIKey is UVTJZVGYEACPCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13F2N5O3S/c1-26(23,24)22(11-5-3-2-4-6-11)9-10-7-18-13(19-8-10)15-21-20-14(25-15)12(16)17/h2-8,12H,9H2,1H3.
What are the key properties of N-[[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-5-yl]methyl]-N-phenylmethanesulfonamide?
N-[[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-5-yl]methyl]-N-phenylmethanesulfonamide has a molecular weight of 381.36 g/mol, XLogP of 2.43, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[2-[5-(difluoromethyl)-1,3,4-oxadiazol-2-yl]pyrimidin-5-yl]methyl]-N-phenylmethanesulfonamide is sourced from PubChem (CID 126507712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).