N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide

C15H9ClF5N3O2S — CID 164839507

IUPACN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C15H9ClF5N3O2S/c16-11-6-4-9(5-7-11)14-23-24-15(26-14)22-13(25)10-2-1-3-12(8-10)27(17,18,19,20)21/h1-8H,(H,22,24,25)
InChIKeyHKRVZFSBRARPKS-UHFFFAOYSA-N
MW425.77 g/mol
LogP6.30
Rot. Bonds4

About N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide

N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide (PubChem CID 164839507) has the molecular formula C15H9ClF5N3O2S and a molecular weight of 425.77 g/mol. Its IUPAC name is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide.

Molecular Properties

Compound NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide
PubChem CID164839507
Molecular FormulaC15H9ClF5N3O2S
Molecular Weight425.77 g/mol
Exact Mass425.00
IUPAC NameN-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide
SMILESO=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(S(F)(F)(F)(F)F)c1
InChIInChI=1S/C15H9ClF5N3O2S/c16-11-6-4-9(5-7-11)14-23-24-15(26-14)22-13(25)10-2-1-3-12(8-10)27(17,18,19,20)21/h1-8H,(H,22,24,25)
InChIKeyHKRVZFSBRARPKS-UHFFFAOYSA-N
XLogP6.30
TPSA68.02 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.77
LogP ≤ 56.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide
CID 164839580
N-[5-(2-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide
CID 164839508
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-fluorobenzamide
CID 4638672
4-chloro-N-[5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43972349
2,5-dichloro-N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 4122330
3-methyl-N-[5-(4-propan-2-ylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 92686300
3-chloro-N-[5-(3,4-dimethoxyphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 7655642
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-2,6-dimethoxybenzamide
CID 5185834
3,5-dichloro-N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 43972024
2-[(4-chlorobenzoyl)amino]-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide
CID 45017764
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-ethoxybenzamide
CID 5121950
N-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(pentafluoro-λ6-sulfanyl)benzamide
CID 164839624

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide?
The IUPAC name of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide (CID 164839507) is N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide.
What is the SMILES notation for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide?
The canonical SMILES for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide is O=C(Nc1nnc(-c2ccc(Cl)cc2)o1)c1cccc(S(F)(F)(F)(F)F)c1.
What is the InChIKey of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide?
The InChIKey is HKRVZFSBRARPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9ClF5N3O2S/c16-11-6-4-9(5-7-11)14-23-24-15(26-14)22-13(25)10-2-1-3-12(8-10)27(17,18,19,20)21/h1-8H,(H,22,24,25).
What are the key properties of N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide?
N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide has a molecular weight of 425.77 g/mol, XLogP of 6.30, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]-3-(pentafluoro-λ6-sulfanyl)benzamide is sourced from PubChem (CID 164839507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).