2-bromo-5-(morpholine-4-carbonyl)furan-3-sulfonyl chloride

C9H9BrClNO5S — CID 65371404

IUPAC2-bromo-5-(morpholine-4-carbonyl)furan-3-sulfonyl chloride
SMILESO=C(c1cc(S(=O)(=O)Cl)c(Br)o1)N1CCOCC1
InChIInChI=1S/C9H9BrClNO5S/c10-8-7(18(11,14)15)5-6(17-8)9(13)12-1-3-16-4-2-12/h5H,1-4H2
InChIKeyVCRGRABLCOWRGL-UHFFFAOYSA-N
MW358.60 g/mol
LogP1.44
Rot. Bonds2

About 2-bromo-5-(morpholine-4-carbonyl)furan-3-sulfonyl chloride

2-bromo-5-(morpholine-4-carbonyl)furan-3-sulfonyl chloride (PubChem CID 65371404) has the molecular formula C9H9BrClNO5S and a molecular weight of 358.60 g/mol. Its IUPAC name is 2-bromo-5-(morpholine-4-carbonyl)furan-3-sulfonyl chloride.

Molecular Properties

Compound Name2-bromo-5-(morpholine-4-carbonyl)furan-3-sulfonyl chloride
PubChem CID65371404
Molecular FormulaC9H9BrClNO5S
Molecular Weight358.60 g/mol
Exact Mass356.91
IUPAC Name2-bromo-5-(morpholine-4-carbonyl)furan-3-sulfonyl chloride
SMILESO=C(c1cc(S(=O)(=O)Cl)c(Br)o1)N1CCOCC1
InChIInChI=1S/C9H9BrClNO5S/c10-8-7(18(11,14)15)5-6(17-8)9(13)12-1-3-16-4-2-12/h5H,1-4H2
InChIKeyVCRGRABLCOWRGL-UHFFFAOYSA-N
XLogP1.44
TPSA76.82 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.60
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(morpholine-4-carbonyl)furan-3-sulfonyl chloride?
The IUPAC name of 2-bromo-5-(morpholine-4-carbonyl)furan-3-sulfonyl chloride (CID 65371404) is 2-bromo-5-(morpholine-4-carbonyl)furan-3-sulfonyl chloride.
What is the SMILES notation for 2-bromo-5-(morpholine-4-carbonyl)furan-3-sulfonyl chloride?
The canonical SMILES for 2-bromo-5-(morpholine-4-carbonyl)furan-3-sulfonyl chloride is O=C(c1cc(S(=O)(=O)Cl)c(Br)o1)N1CCOCC1.
What is the InChIKey of 2-bromo-5-(morpholine-4-carbonyl)furan-3-sulfonyl chloride?
The InChIKey is VCRGRABLCOWRGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrClNO5S/c10-8-7(18(11,14)15)5-6(17-8)9(13)12-1-3-16-4-2-12/h5H,1-4H2.
What are the key properties of 2-bromo-5-(morpholine-4-carbonyl)furan-3-sulfonyl chloride?
2-bromo-5-(morpholine-4-carbonyl)furan-3-sulfonyl chloride has a molecular weight of 358.60 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(morpholine-4-carbonyl)furan-3-sulfonyl chloride is sourced from PubChem (CID 65371404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).