4-(3-bromo-5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine

C10H13BrClNO3S2 — CID 6710854

IUPAC4-(3-bromo-5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2sc(Cl)cc2Br)CC(C)O1
InChIInChI=1S/C10H13BrClNO3S2/c1-6-4-13(5-7(2)16-6)18(14,15)10-8(11)3-9(12)17-10/h3,6-7H,4-5H2,1-2H3
InChIKeyPEPKQKKFNAWOGE-UHFFFAOYSA-N
MW374.71 g/mol
LogP2.96
Rot. Bonds2

About 4-(3-bromo-5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine

4-(3-bromo-5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine (PubChem CID 6710854) has the molecular formula C10H13BrClNO3S2 and a molecular weight of 374.71 g/mol. Its IUPAC name is 4-(3-bromo-5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine.

Molecular Properties

Compound Name4-(3-bromo-5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine
PubChem CID6710854
Molecular FormulaC10H13BrClNO3S2
Molecular Weight374.71 g/mol
Exact Mass372.92
IUPAC Name4-(3-bromo-5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine
SMILESCC1CN(S(=O)(=O)c2sc(Cl)cc2Br)CC(C)O1
InChIInChI=1S/C10H13BrClNO3S2/c1-6-4-13(5-7(2)16-6)18(14,15)10-8(11)3-9(12)17-10/h3,6-7H,4-5H2,1-2H3
InChIKeyPEPKQKKFNAWOGE-UHFFFAOYSA-N
XLogP2.96
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.71
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(3-bromo-5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine?
The IUPAC name of 4-(3-bromo-5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine (CID 6710854) is 4-(3-bromo-5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine.
What is the SMILES notation for 4-(3-bromo-5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine?
The canonical SMILES for 4-(3-bromo-5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine is CC1CN(S(=O)(=O)c2sc(Cl)cc2Br)CC(C)O1.
What is the InChIKey of 4-(3-bromo-5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine?
The InChIKey is PEPKQKKFNAWOGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13BrClNO3S2/c1-6-4-13(5-7(2)16-6)18(14,15)10-8(11)3-9(12)17-10/h3,6-7H,4-5H2,1-2H3.
What are the key properties of 4-(3-bromo-5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine?
4-(3-bromo-5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine has a molecular weight of 374.71 g/mol, XLogP of 2.96, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromo-5-chlorothiophen-2-yl)sulfonyl-2,6-dimethylmorpholine is sourced from PubChem (CID 6710854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).