N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide

C18H14Cl2FN3O4S — CID 43976534

IUPACN-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide
SMILESO=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C18H14Cl2FN3O4S/c19-12-8-11(9-13(20)10-12)17-23-24-18(28-17)22-16(25)2-1-7-29(26,27)15-5-3-14(21)4-6-15/h3-6,8-10H,1-2,7H2,(H,22,24,25)
InChIKeySQZWSECTRWAXNN-UHFFFAOYSA-N
MW458.30 g/mol
LogP4.38
Rot. Bonds7

About N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide

N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide (PubChem CID 43976534) has the molecular formula C18H14Cl2FN3O4S and a molecular weight of 458.30 g/mol. Its IUPAC name is N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide.

Molecular Properties

Compound NameN-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide
PubChem CID43976534
Molecular FormulaC18H14Cl2FN3O4S
Molecular Weight458.30 g/mol
Exact Mass457.01
IUPAC NameN-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide
SMILESO=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2cc(Cl)cc(Cl)c2)o1
InChIInChI=1S/C18H14Cl2FN3O4S/c19-12-8-11(9-13(20)10-12)17-23-24-18(28-17)22-16(25)2-1-7-29(26,27)15-5-3-14(21)4-6-15/h3-6,8-10H,1-2,7H2,(H,22,24,25)
InChIKeySQZWSECTRWAXNN-UHFFFAOYSA-N
XLogP4.38
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.30
LogP ≤ 54.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 43976775
N-[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 43971944
N-[5-(4-bromophenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 41151711
4-(4-chlorophenyl)sulfonyl-N-(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)butanamide
CID 18586068
4-(benzenesulfonyl)-N-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 16854630
N-[5-(4-ethoxyphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 43975698
N-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methylphenyl)sulfonylbutanamide
CID 16823725
N-[5-(2,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-methoxyphenyl)sulfonylbutanamide
CID 41273832
N-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]-3-(4-fluorophenyl)sulfonylpropanamide
CID 7254358
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-phenylsulfanylbutanamide
CID 43976527
4-(benzenesulfonyl)-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 41273101
4-(4-fluorophenyl)sulfonyl-N-[5-(2-phenylsulfanylethyl)-1,3,4-oxadiazol-2-yl]butanamide
CID 44921691

Frequently Asked Questions

What is the IUPAC name of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide?
The IUPAC name of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide (CID 43976534) is N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide.
What is the SMILES notation for N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide?
The canonical SMILES for N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide is O=C(CCCS(=O)(=O)c1ccc(F)cc1)Nc1nnc(-c2cc(Cl)cc(Cl)c2)o1.
What is the InChIKey of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide?
The InChIKey is SQZWSECTRWAXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl2FN3O4S/c19-12-8-11(9-13(20)10-12)17-23-24-18(28-17)22-16(25)2-1-7-29(26,27)15-5-3-14(21)4-6-15/h3-6,8-10H,1-2,7H2,(H,22,24,25).
What are the key properties of N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide?
N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide has a molecular weight of 458.30 g/mol, XLogP of 4.38, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(3,5-dichlorophenyl)-1,3,4-oxadiazol-2-yl]-4-(4-fluorophenyl)sulfonylbutanamide is sourced from PubChem (CID 43976534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).