4-(4-bromo-5-chlorothiophen-2-yl)sulfonylmorpholine

C8H9BrClNO3S2 — CID 2741055

IUPAC4-(4-bromo-5-chlorothiophen-2-yl)sulfonylmorpholine
SMILESO=S(=O)(c1cc(Br)c(Cl)s1)N1CCOCC1
InChIInChI=1S/C8H9BrClNO3S2/c9-6-5-7(15-8(6)10)16(12,13)11-1-3-14-4-2-11/h5H,1-4H2
InChIKeyLGEVTRMOGBKRSZ-UHFFFAOYSA-N
MW346.66 g/mol
LogP2.18
Rot. Bonds2

About 4-(4-bromo-5-chlorothiophen-2-yl)sulfonylmorpholine

4-(4-bromo-5-chlorothiophen-2-yl)sulfonylmorpholine (PubChem CID 2741055) has the molecular formula C8H9BrClNO3S2 and a molecular weight of 346.66 g/mol. Its IUPAC name is 4-(4-bromo-5-chlorothiophen-2-yl)sulfonylmorpholine.

Molecular Properties

Compound Name4-(4-bromo-5-chlorothiophen-2-yl)sulfonylmorpholine
PubChem CID2741055
Molecular FormulaC8H9BrClNO3S2
Molecular Weight346.66 g/mol
Exact Mass344.89
IUPAC Name4-(4-bromo-5-chlorothiophen-2-yl)sulfonylmorpholine
SMILESO=S(=O)(c1cc(Br)c(Cl)s1)N1CCOCC1
InChIInChI=1S/C8H9BrClNO3S2/c9-6-5-7(15-8(6)10)16(12,13)11-1-3-14-4-2-11/h5H,1-4H2
InChIKeyLGEVTRMOGBKRSZ-UHFFFAOYSA-N
XLogP2.18
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.66
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromo-5-chlorothiophen-2-yl)sulfonylmorpholine?
The IUPAC name of 4-(4-bromo-5-chlorothiophen-2-yl)sulfonylmorpholine (CID 2741055) is 4-(4-bromo-5-chlorothiophen-2-yl)sulfonylmorpholine.
What is the SMILES notation for 4-(4-bromo-5-chlorothiophen-2-yl)sulfonylmorpholine?
The canonical SMILES for 4-(4-bromo-5-chlorothiophen-2-yl)sulfonylmorpholine is O=S(=O)(c1cc(Br)c(Cl)s1)N1CCOCC1.
What is the InChIKey of 4-(4-bromo-5-chlorothiophen-2-yl)sulfonylmorpholine?
The InChIKey is LGEVTRMOGBKRSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9BrClNO3S2/c9-6-5-7(15-8(6)10)16(12,13)11-1-3-14-4-2-11/h5H,1-4H2.
What are the key properties of 4-(4-bromo-5-chlorothiophen-2-yl)sulfonylmorpholine?
4-(4-bromo-5-chlorothiophen-2-yl)sulfonylmorpholine has a molecular weight of 346.66 g/mol, XLogP of 2.18, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromo-5-chlorothiophen-2-yl)sulfonylmorpholine is sourced from PubChem (CID 2741055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).