4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine

C8H9Cl2NO3S2 — CID 2805364

IUPAC4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N1CCOCC1
InChIInChI=1S/C8H9Cl2NO3S2/c9-7-5-6(8(10)15-7)16(12,13)11-1-3-14-4-2-11/h5H,1-4H2
InChIKeyUNCJODIVHYHXAK-UHFFFAOYSA-N
MW302.20 g/mol
LogP2.08
Rot. Bonds2

About 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine

4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine (PubChem CID 2805364) has the molecular formula C8H9Cl2NO3S2 and a molecular weight of 302.20 g/mol. Its IUPAC name is 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine
PubChem CID2805364
Molecular FormulaC8H9Cl2NO3S2
Molecular Weight302.20 g/mol
Exact Mass300.94
IUPAC Name4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine
SMILESO=S(=O)(c1cc(Cl)sc1Cl)N1CCOCC1
InChIInChI=1S/C8H9Cl2NO3S2/c9-7-5-6(8(10)15-7)16(12,13)11-1-3-14-4-2-11/h5H,1-4H2
InChIKeyUNCJODIVHYHXAK-UHFFFAOYSA-N
XLogP2.08
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.20
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine?
The IUPAC name of 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine (CID 2805364) is 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine?
The canonical SMILES for 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine is O=S(=O)(c1cc(Cl)sc1Cl)N1CCOCC1.
What is the InChIKey of 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine?
The InChIKey is UNCJODIVHYHXAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9Cl2NO3S2/c9-7-5-6(8(10)15-7)16(12,13)11-1-3-14-4-2-11/h5H,1-4H2.
What are the key properties of 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine?
4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine has a molecular weight of 302.20 g/mol, XLogP of 2.08, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichlorothiophen-3-yl)sulfonylmorpholine is sourced from PubChem (CID 2805364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).