N-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide

C18H12FN5O5S — CID 175014970

IUPACN-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)Nc2cccc(-c3nnc(-c4ccccc4F)o3)c2)c(=O)[nH]1
InChIInChI=1S/C18H12FN5O5S/c19-13-7-2-1-6-12(13)17-23-22-16(29-17)10-4-3-5-11(8-10)24-30(27,28)14-9-20-18(26)21-15(14)25/h1-9,24H,(H2,20,21,25,26)
InChIKeyWCVBXMDANWXVTB-UHFFFAOYSA-N
MW429.39 g/mol
LogP1.72
Rot. Bonds5

About N-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide

N-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide (PubChem CID 175014970) has the molecular formula C18H12FN5O5S and a molecular weight of 429.39 g/mol. Its IUPAC name is N-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide.

Molecular Properties

Compound NameN-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
PubChem CID175014970
Molecular FormulaC18H12FN5O5S
Molecular Weight429.39 g/mol
Exact Mass429.05
IUPAC NameN-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide
SMILESO=c1[nH]cc(S(=O)(=O)Nc2cccc(-c3nnc(-c4ccccc4F)o3)c2)c(=O)[nH]1
InChIInChI=1S/C18H12FN5O5S/c19-13-7-2-1-6-12(13)17-23-22-16(29-17)10-4-3-5-11(8-10)24-30(27,28)14-9-20-18(26)21-15(14)25/h1-9,24H,(H2,20,21,25,26)
InChIKeyWCVBXMDANWXVTB-UHFFFAOYSA-N
XLogP1.72
TPSA150.81 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.39
LogP ≤ 51.72
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The IUPAC name of N-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide (CID 175014970) is N-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide.
What is the SMILES notation for N-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The canonical SMILES for N-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide is O=c1[nH]cc(S(=O)(=O)Nc2cccc(-c3nnc(-c4ccccc4F)o3)c2)c(=O)[nH]1.
What is the InChIKey of N-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
The InChIKey is WCVBXMDANWXVTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN5O5S/c19-13-7-2-1-6-12(13)17-23-22-16(29-17)10-4-3-5-11(8-10)24-30(27,28)14-9-20-18(26)21-15(14)25/h1-9,24H,(H2,20,21,25,26).
What are the key properties of N-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide?
N-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide has a molecular weight of 429.39 g/mol, XLogP of 1.72, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]phenyl]-2,4-dioxo-1H-pyrimidine-5-sulfonamide is sourced from PubChem (CID 175014970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).