5-(2-chloroprop-2-enylsulfonylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole

C10H9ClN2O3S2 — CID 47024366

IUPAC5-(2-chloroprop-2-enylsulfonylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESC=C(Cl)CS(=O)(=O)Cc1nc(-c2cccs2)no1
InChIInChI=1S/C10H9ClN2O3S2/c1-7(11)5-18(14,15)6-9-12-10(13-16-9)8-3-2-4-17-8/h2-4H,1,5-6H2
InChIKeyRUWQKWCTJHFKLU-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.47
Rot. Bonds5

About 5-(2-chloroprop-2-enylsulfonylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole

5-(2-chloroprop-2-enylsulfonylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole (PubChem CID 47024366) has the molecular formula C10H9ClN2O3S2 and a molecular weight of 304.78 g/mol. Its IUPAC name is 5-(2-chloroprop-2-enylsulfonylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chloroprop-2-enylsulfonylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
PubChem CID47024366
Molecular FormulaC10H9ClN2O3S2
Molecular Weight304.78 g/mol
Exact Mass303.97
IUPAC Name5-(2-chloroprop-2-enylsulfonylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole
SMILESC=C(Cl)CS(=O)(=O)Cc1nc(-c2cccs2)no1
InChIInChI=1S/C10H9ClN2O3S2/c1-7(11)5-18(14,15)6-9-12-10(13-16-9)8-3-2-4-17-8/h2-4H,1,5-6H2
InChIKeyRUWQKWCTJHFKLU-UHFFFAOYSA-N
XLogP2.47
TPSA73.06 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

3-(2-methoxyphenyl)-5-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonylmethyl]-1,2,4-oxadiazole
CID 86926216
N-(methylsulfamoyl)-1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 110632114
2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methylsulfonyl]propanamide
CID 47206964
1,1-difluoro-3-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-one
CID 63346751
N-[2-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)ethyl]ethanesulfonamide
CID 110323231
N-methyl-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]thiophene-2-sulfonamide
CID 53277887
5-[2-(dimethylsulfamoylamino)ethyl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 110323234
4-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)butanal
CID 130369057
1-(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)propan-2-amine
CID 43358218
2-chloro-N-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]benzamide
CID 93173363
3-(3-methylphenyl)-5-[(2-thiophen-2-yl-1,3-oxazol-4-yl)methylsulfonylmethyl]-1,2,4-oxadiazole
CID 47035268
(2R)-2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methoxy]propanoic acid
CID 104875022

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloroprop-2-enylsulfonylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chloroprop-2-enylsulfonylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole (CID 47024366) is 5-(2-chloroprop-2-enylsulfonylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chloroprop-2-enylsulfonylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chloroprop-2-enylsulfonylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole is C=C(Cl)CS(=O)(=O)Cc1nc(-c2cccs2)no1.
What is the InChIKey of 5-(2-chloroprop-2-enylsulfonylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
The InChIKey is RUWQKWCTJHFKLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3S2/c1-7(11)5-18(14,15)6-9-12-10(13-16-9)8-3-2-4-17-8/h2-4H,1,5-6H2.
What are the key properties of 5-(2-chloroprop-2-enylsulfonylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole?
5-(2-chloroprop-2-enylsulfonylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole has a molecular weight of 304.78 g/mol, XLogP of 2.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloroprop-2-enylsulfonylmethyl)-3-thiophen-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 47024366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).