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

C18H12FN3O3S2 — CID 46380545

IUPACN-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2noc(-c3cccc(F)c3)n2)cc1)c1cccs1
InChIInChI=1S/C18H12FN3O3S2/c19-14-4-1-3-13(11-14)18-20-17(21-25-18)12-6-8-15(9-7-12)22-27(23,24)16-5-2-10-26-16/h1-11,22H
InChIKeyZZHNMMWRJCKCNH-UHFFFAOYSA-N
MW401.44 g/mol
LogP4.41
Rot. Bonds5

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

N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide (PubChem CID 46380545) has the molecular formula C18H12FN3O3S2 and a molecular weight of 401.44 g/mol. Its IUPAC name is N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
PubChem CID46380545
Molecular FormulaC18H12FN3O3S2
Molecular Weight401.44 g/mol
Exact Mass401.03
IUPAC NameN-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccc(-c2noc(-c3cccc(F)c3)n2)cc1)c1cccs1
InChIInChI=1S/C18H12FN3O3S2/c19-14-4-1-3-13(11-14)18-20-17(21-25-18)12-6-8-15(9-7-12)22-27(23,24)16-5-2-10-26-16/h1-11,22H
InChIKeyZZHNMMWRJCKCNH-UHFFFAOYSA-N
XLogP4.41
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.44
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
CID 46380546
N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-4-methylbenzenesulfonamide
CID 50823083
N-[4-[5-(2-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
CID 46380535
N-[4-[5-(2-ethoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
CID 46380533
N-[4-[3-[2-[4-(trifluoromethoxy)anilino]-4-pyridinyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide
CID 162620900
N-[4-[3-(2-prop-2-ynoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide
CID 167784843
5-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methoxyphenyl)-2-methylthiophene-3-sulfonamide
CID 50821175
N-[3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]phenyl]thiophene-2-sulfonamide;hydrochloride
CID 120866192
N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]benzenesulfonamide
CID 50823114
N-[3-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]-2,5-dimethoxybenzenesulfonamide
CID 35521904
N-(3-fluorophenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]benzenesulfonamide
CID 50841890
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylthiophene-2-sulfonamide
CID 53126847

Frequently Asked Questions

What is the IUPAC name of N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide (CID 46380545) is N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide is O=S(=O)(Nc1ccc(-c2noc(-c3cccc(F)c3)n2)cc1)c1cccs1.
What is the InChIKey of N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide?
The InChIKey is ZZHNMMWRJCKCNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O3S2/c19-14-4-1-3-13(11-14)18-20-17(21-25-18)12-6-8-15(9-7-12)22-27(23,24)16-5-2-10-26-16/h1-11,22H.
What are the key properties of N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide?
N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide has a molecular weight of 401.44 g/mol, XLogP of 4.41, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 46380545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).