4-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-3-ethyl-1,2,4-triazole

C12H15ClN4O2S2 — CID 71837181

IUPAC4-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-3-ethyl-1,2,4-triazole
SMILESCCc1nncn1C1CCN(S(=O)(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C12H15ClN4O2S2/c1-2-11-15-14-8-17(11)9-5-6-16(7-9)21(18,19)12-4-3-10(13)20-12/h3-4,8-9H,2,5-7H2,1H3
InChIKeyWSDOGEPKFKIXOU-UHFFFAOYSA-N
MW346.87 g/mol
LogP2.19
Rot. Bonds4

About 4-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-3-ethyl-1,2,4-triazole

4-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-3-ethyl-1,2,4-triazole (PubChem CID 71837181) has the molecular formula C12H15ClN4O2S2 and a molecular weight of 346.87 g/mol. Its IUPAC name is 4-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-3-ethyl-1,2,4-triazole.

Molecular Properties

Compound Name4-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-3-ethyl-1,2,4-triazole
PubChem CID71837181
Molecular FormulaC12H15ClN4O2S2
Molecular Weight346.87 g/mol
Exact Mass346.03
IUPAC Name4-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-3-ethyl-1,2,4-triazole
SMILESCCc1nncn1C1CCN(S(=O)(=O)c2ccc(Cl)s2)C1
InChIInChI=1S/C12H15ClN4O2S2/c1-2-11-15-14-8-17(11)9-5-6-16(7-9)21(18,19)12-4-3-10(13)20-12/h3-4,8-9H,2,5-7H2,1H3
InChIKeyWSDOGEPKFKIXOU-UHFFFAOYSA-N
XLogP2.19
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.87
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-chlorophenyl)sulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine
CID 91914700
1-cyclopropylsulfonyl-4-(3-ethyl-1,2,4-triazol-4-yl)piperidine
CID 110875669
1-(5-chlorothiophen-2-yl)sulfonyl-3-methylsulfonylpyrrolidine
CID 90584698
1-(5-chlorothiophen-2-yl)sulfonyl-4-(fluoromethyl)piperidine
CID 155976722
2-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-4-methyl-5-(trifluoromethyl)-1,2,4-triazol-3-one
CID 122268956
3-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]-4,4-dimethyl-1,3-oxazolidin-2-one
CID 3458659
4-benzyl-1-(5-chlorothiophen-2-yl)sulfonylpiperidine
CID 2943089
1-(5-chlorothiophen-2-yl)sulfonyl-N'-hydroxypiperidine-4-carboximidamide
CID 77039217
3-[(3R)-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]oxypyridazine
CID 100624540
1-[1-(5-chlorothiophen-2-yl)sulfonylpiperidin-4-yl]ethanone
CID 63846418
1-(5-chlorothiophen-2-yl)sulfonylpiperidine-4-carboxamide
CID 18078359
3-azido-1-(5-chlorothiophen-2-yl)sulfonylpyrrolidine
CID 172905067

Frequently Asked Questions

What is the IUPAC name of 4-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-3-ethyl-1,2,4-triazole?
The IUPAC name of 4-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-3-ethyl-1,2,4-triazole (CID 71837181) is 4-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-3-ethyl-1,2,4-triazole.
What is the SMILES notation for 4-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-3-ethyl-1,2,4-triazole?
The canonical SMILES for 4-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-3-ethyl-1,2,4-triazole is CCc1nncn1C1CCN(S(=O)(=O)c2ccc(Cl)s2)C1.
What is the InChIKey of 4-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-3-ethyl-1,2,4-triazole?
The InChIKey is WSDOGEPKFKIXOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15ClN4O2S2/c1-2-11-15-14-8-17(11)9-5-6-16(7-9)21(18,19)12-4-3-10(13)20-12/h3-4,8-9H,2,5-7H2,1H3.
What are the key properties of 4-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-3-ethyl-1,2,4-triazole?
4-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-3-ethyl-1,2,4-triazole has a molecular weight of 346.87 g/mol, XLogP of 2.19, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(5-chlorothiophen-2-yl)sulfonylpyrrolidin-3-yl]-3-ethyl-1,2,4-triazole is sourced from PubChem (CID 71837181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).