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

C18H12ClN3O3S2 — CID 53126847

IUPAC4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylthiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1
InChIInChI=1S/C18H12ClN3O3S2/c19-14-8-6-12(7-9-14)17-20-18(25-21-17)13-10-16(26-11-13)27(23,24)22-15-4-2-1-3-5-15/h1-11,22H
InChIKeyXYKCIBAHIKPVSQ-UHFFFAOYSA-N
MW417.90 g/mol
LogP4.92
Rot. Bonds5

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

4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylthiophene-2-sulfonamide (PubChem CID 53126847) has the molecular formula C18H12ClN3O3S2 and a molecular weight of 417.90 g/mol. Its IUPAC name is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylthiophene-2-sulfonamide.

Molecular Properties

Compound Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylthiophene-2-sulfonamide
PubChem CID53126847
Molecular FormulaC18H12ClN3O3S2
Molecular Weight417.90 g/mol
Exact Mass417.00
IUPAC Name4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylthiophene-2-sulfonamide
SMILESO=S(=O)(Nc1ccccc1)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1
InChIInChI=1S/C18H12ClN3O3S2/c19-14-8-6-12(7-9-14)17-20-18(25-21-17)13-10-16(26-11-13)27(23,24)22-15-4-2-1-3-5-15/h1-11,22H
InChIKeyXYKCIBAHIKPVSQ-UHFFFAOYSA-N
XLogP4.92
TPSA85.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.90
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-benzyl-4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]thiophene-2-sulfonamide
CID 53126844
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(2-methylphenyl)methyl]thiophene-2-sulfonamide
CID 53126848
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-[(4-fluorophenyl)methyl]thiophene-2-sulfonamide
CID 53126834
N-(3-chloro-4-fluorophenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 46380261
3-(3-chlorophenyl)-5-(5-methylsulfonylthiophen-3-yl)-1,2,4-oxadiazole
CID 99705057
N-(3-chlorophenyl)-4-[5-(pyrrolidine-1-carbonyl)-1,2,4-oxadiazol-3-yl]thiophene-2-sulfonamide
CID 53126338
N-(3-chlorophenyl)-4-(1,2-oxazol-5-yl)thiophene-2-sulfonamide
CID 51043927
N-[4-[5-(2-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
CID 46380546
N-[4-[3-[4-[(4-chlorophenyl)sulfonylamino]phenyl]-1,2,4-oxadiazol-5-yl]phenyl]acetamide
CID 50822916
N-[4-[5-(3-fluorophenyl)-1,2,4-oxadiazol-3-yl]phenyl]thiophene-2-sulfonamide
CID 46380545
N-(4-chlorophenyl)-4-(1H-pyrazol-5-yl)thiophene-2-sulfonamide
CID 53130896
N-(3-ethylphenyl)-4-(5-methyl-1,2,4-oxadiazol-3-yl)thiophene-2-sulfonamide
CID 46380254

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylthiophene-2-sulfonamide?
The IUPAC name of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylthiophene-2-sulfonamide (CID 53126847) is 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylthiophene-2-sulfonamide.
What is the SMILES notation for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylthiophene-2-sulfonamide?
The canonical SMILES for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylthiophene-2-sulfonamide is O=S(=O)(Nc1ccccc1)c1cc(-c2nc(-c3ccc(Cl)cc3)no2)cs1.
What is the InChIKey of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylthiophene-2-sulfonamide?
The InChIKey is XYKCIBAHIKPVSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12ClN3O3S2/c19-14-8-6-12(7-9-14)17-20-18(25-21-17)13-10-16(26-11-13)27(23,24)22-15-4-2-1-3-5-15/h1-11,22H.
What are the key properties of 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylthiophene-2-sulfonamide?
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylthiophene-2-sulfonamide has a molecular weight of 417.90 g/mol, XLogP of 4.92, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-phenylthiophene-2-sulfonamide is sourced from PubChem (CID 53126847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).