2-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide

C17H14ClN3O6S2 — CID 43977225

IUPAC2-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCS(=O)(=O)c1cccc(-c2nnc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C17H14ClN3O6S2/c1-28(23,24)14-4-2-3-11(9-14)16-20-21-17(27-16)19-15(22)10-29(25,26)13-7-5-12(18)6-8-13/h2-9H,10H2,1H3,(H,19,21,22)
InChIKeyUACVPADQAJCJPO-UHFFFAOYSA-N
MW455.90 g/mol
LogP2.21
Rot. Bonds6

About 2-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide

2-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide (PubChem CID 43977225) has the molecular formula C17H14ClN3O6S2 and a molecular weight of 455.90 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
PubChem CID43977225
Molecular FormulaC17H14ClN3O6S2
Molecular Weight455.90 g/mol
Exact Mass455.00
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
SMILESCS(=O)(=O)c1cccc(-c2nnc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)o2)c1
InChIInChI=1S/C17H14ClN3O6S2/c1-28(23,24)14-4-2-3-11(9-14)16-20-21-17(27-16)19-15(22)10-29(25,26)13-7-5-12(18)6-8-13/h2-9H,10H2,1H3,(H,19,21,22)
InChIKeyUACVPADQAJCJPO-UHFFFAOYSA-N
XLogP2.21
TPSA136.30 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.90
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 16822911
2-(benzenesulfonyl)-N-[5-(4-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41028297
2,5-dichloro-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 41028245
2-(4-chlorophenyl)sulfonyl-N-[5-(3,4,5-triethoxyphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 41151452
2-(4-fluorophenyl)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977726
2-(4-chlorophenyl)sulfonyl-N-[5-(2,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 7543966
3-(4-methylphenyl)sulfanyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]propanamide
CID 7578299
2-(4-ethoxyphenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977427
N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]benzamide
CID 16822896
2-(4-fluorophenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977325
2-(3-methoxyphenoxy)-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide
CID 43977307
N-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]-4-methylsulfonylbenzamide
CID 16854423

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide (CID 43977225) is 2-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide is CS(=O)(=O)c1cccc(-c2nnc(NC(=O)CS(=O)(=O)c3ccc(Cl)cc3)o2)c1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
The InChIKey is UACVPADQAJCJPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O6S2/c1-28(23,24)14-4-2-3-11(9-14)16-20-21-17(27-16)19-15(22)10-29(25,26)13-7-5-12(18)6-8-13/h2-9H,10H2,1H3,(H,19,21,22).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide?
2-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide has a molecular weight of 455.90 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-[5-(3-methylsulfonylphenyl)-1,3,4-oxadiazol-2-yl]acetamide is sourced from PubChem (CID 43977225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).