2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide

C20H15ClFN3O3S2 — CID 27375708

IUPAC2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3Cl)no2)cc1F
InChIInChI=1S/C20H15ClFN3O3S2/c1-12-7-8-13(11-16(12)22)25(2)30(26,27)17-9-10-29-18(17)20-23-19(24-28-20)14-5-3-4-6-15(14)21/h3-11H,1-2H3
InChIKeyBXIZEFCXWBCALZ-UHFFFAOYSA-N
MW463.94 g/mol
LogP5.39
Rot. Bonds5

About 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide

2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide (PubChem CID 27375708) has the molecular formula C20H15ClFN3O3S2 and a molecular weight of 463.94 g/mol. Its IUPAC name is 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide.

Molecular Properties

Compound Name2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide
PubChem CID27375708
Molecular FormulaC20H15ClFN3O3S2
Molecular Weight463.94 g/mol
Exact Mass463.02
IUPAC Name2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide
SMILESCc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3Cl)no2)cc1F
InChIInChI=1S/C20H15ClFN3O3S2/c1-12-7-8-13(11-16(12)22)25(2)30(26,27)17-9-10-29-18(17)20-23-19(24-28-20)14-5-3-4-6-15(14)21/h3-11H,1-2H3
InChIKeyBXIZEFCXWBCALZ-UHFFFAOYSA-N
XLogP5.39
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.94
LogP ≤ 55.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethoxyphenyl)-N-methylthiophene-3-sulfonamide
CID 53077452
N-(4-chlorophenyl)-N-methyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide
CID 30850188
N-(4-fluorophenyl)-N-methyl-2-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide
CID 27375490
2-[3-(2-bromophenyl)-1,2,4-oxadiazol-5-yl]-N-methyl-N-(3-methylphenyl)thiophene-3-sulfonamide
CID 53077498
2-[3-(2,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]-N-(3,4-dimethylphenyl)-N-methylthiophene-3-sulfonamide
CID 27375414
N-(4-fluorophenyl)-N-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 27375148
N-(3-chloro-4-methoxyphenyl)-N-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 27375524
N-(4-fluorophenyl)-N-methyl-2-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]thiophene-3-sulfonamide
CID 27375494
N-(3,4-dimethoxyphenyl)-2-[3-(3,4-dimethylphenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide
CID 45498593
N-(1,3-benzodioxol-5-yl)-2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide
CID 30850142
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(3-fluorophenyl)-1,2,4-oxadiazol-5-yl]-N-methylthiophene-3-sulfonamide
CID 45498605
N-(3,4-dimethoxyphenyl)-N-methyl-2-(3-phenyl-1,2,4-oxadiazol-5-yl)thiophene-3-sulfonamide
CID 53077450

Frequently Asked Questions

What is the IUPAC name of 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide?
The IUPAC name of 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide (CID 27375708) is 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide.
What is the SMILES notation for 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide?
The canonical SMILES for 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide is Cc1ccc(N(C)S(=O)(=O)c2ccsc2-c2nc(-c3ccccc3Cl)no2)cc1F.
What is the InChIKey of 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide?
The InChIKey is BXIZEFCXWBCALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15ClFN3O3S2/c1-12-7-8-13(11-16(12)22)25(2)30(26,27)17-9-10-29-18(17)20-23-19(24-28-20)14-5-3-4-6-15(14)21/h3-11H,1-2H3.
What are the key properties of 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide?
2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide has a molecular weight of 463.94 g/mol, XLogP of 5.39, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(2-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(3-fluoro-4-methylphenyl)-N-methylthiophene-3-sulfonamide is sourced from PubChem (CID 27375708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).