N-(3-chloro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide

C20H15ClFN3O4S2 — CID 27375527

IUPACN-(3-chloro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(F)cc3)no2)cc1Cl
InChIInChI=1S/C20H15ClFN3O4S2/c1-25(14-7-8-16(28-2)15(21)11-14)31(26,27)17-9-10-30-18(17)20-23-19(24-29-20)12-3-5-13(22)6-4-12/h3-11H,1-2H3
InChIKeyIELWUMSBKXIZLL-UHFFFAOYSA-N
MW479.94 g/mol
LogP5.09
Rot. Bonds6

About N-(3-chloro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide

N-(3-chloro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide (PubChem CID 27375527) has the molecular formula C20H15ClFN3O4S2 and a molecular weight of 479.94 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide
PubChem CID27375527
Molecular FormulaC20H15ClFN3O4S2
Molecular Weight479.94 g/mol
Exact Mass479.02
IUPAC NameN-(3-chloro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide
SMILESCOc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(F)cc3)no2)cc1Cl
InChIInChI=1S/C20H15ClFN3O4S2/c1-25(14-7-8-16(28-2)15(21)11-14)31(26,27)17-9-10-30-18(17)20-23-19(24-29-20)12-3-5-13(22)6-4-12/h3-11H,1-2H3
InChIKeyIELWUMSBKXIZLL-UHFFFAOYSA-N
XLogP5.09
TPSA85.53 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500479.94
LogP ≤ 55.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide (CID 27375527) is N-(3-chloro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide is COc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccc(F)cc3)no2)cc1Cl.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide?
The InChIKey is IELWUMSBKXIZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O4S2/c1-25(14-7-8-16(28-2)15(21)11-14)31(26,27)17-9-10-30-18(17)20-23-19(24-29-20)12-3-5-13(22)6-4-12/h3-11H,1-2H3.
What are the key properties of N-(3-chloro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide?
N-(3-chloro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide has a molecular weight of 479.94 g/mol, XLogP of 5.09, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-2-[3-(4-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 27375527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).