1-(5-chlorothiophen-2-yl)sulfonyl-2-ethyl-2,5-dihydropyrrole

C10H12ClNO2S2 — CID 131915901

IUPAC1-(5-chlorothiophen-2-yl)sulfonyl-2-ethyl-2,5-dihydropyrrole
SMILESCCC1C=CCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClNO2S2/c1-2-8-4-3-7-12(8)16(13,14)10-6-5-9(11)15-10/h3-6,8H,2,7H2,1H3
InChIKeyPTAZHAFPBCMVNM-UHFFFAOYSA-N
MW277.80 g/mol
LogP2.74
Rot. Bonds3

About 1-(5-chlorothiophen-2-yl)sulfonyl-2-ethyl-2,5-dihydropyrrole

1-(5-chlorothiophen-2-yl)sulfonyl-2-ethyl-2,5-dihydropyrrole (PubChem CID 131915901) has the molecular formula C10H12ClNO2S2 and a molecular weight of 277.80 g/mol. Its IUPAC name is 1-(5-chlorothiophen-2-yl)sulfonyl-2-ethyl-2,5-dihydropyrrole.

Molecular Properties

Compound Name1-(5-chlorothiophen-2-yl)sulfonyl-2-ethyl-2,5-dihydropyrrole
PubChem CID131915901
Molecular FormulaC10H12ClNO2S2
Molecular Weight277.80 g/mol
Exact Mass277.00
IUPAC Name1-(5-chlorothiophen-2-yl)sulfonyl-2-ethyl-2,5-dihydropyrrole
SMILESCCC1C=CCN1S(=O)(=O)c1ccc(Cl)s1
InChIInChI=1S/C10H12ClNO2S2/c1-2-8-4-3-7-12(8)16(13,14)10-6-5-9(11)15-10/h3-6,8H,2,7H2,1H3
InChIKeyPTAZHAFPBCMVNM-UHFFFAOYSA-N
XLogP2.74
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.80
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-2-ethyl-2,5-dihydropyrrole?
The IUPAC name of 1-(5-chlorothiophen-2-yl)sulfonyl-2-ethyl-2,5-dihydropyrrole (CID 131915901) is 1-(5-chlorothiophen-2-yl)sulfonyl-2-ethyl-2,5-dihydropyrrole.
What is the SMILES notation for 1-(5-chlorothiophen-2-yl)sulfonyl-2-ethyl-2,5-dihydropyrrole?
The canonical SMILES for 1-(5-chlorothiophen-2-yl)sulfonyl-2-ethyl-2,5-dihydropyrrole is CCC1C=CCN1S(=O)(=O)c1ccc(Cl)s1.
What is the InChIKey of 1-(5-chlorothiophen-2-yl)sulfonyl-2-ethyl-2,5-dihydropyrrole?
The InChIKey is PTAZHAFPBCMVNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12ClNO2S2/c1-2-8-4-3-7-12(8)16(13,14)10-6-5-9(11)15-10/h3-6,8H,2,7H2,1H3.
What are the key properties of 1-(5-chlorothiophen-2-yl)sulfonyl-2-ethyl-2,5-dihydropyrrole?
1-(5-chlorothiophen-2-yl)sulfonyl-2-ethyl-2,5-dihydropyrrole has a molecular weight of 277.80 g/mol, XLogP of 2.74, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chlorothiophen-2-yl)sulfonyl-2-ethyl-2,5-dihydropyrrole is sourced from PubChem (CID 131915901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).