oxan-4-yl 5-bromo-4-chlorosulfonylfuran-2-carboxylate

C10H10BrClO6S — CID 65375679

IUPACoxan-4-yl 5-bromo-4-chlorosulfonylfuran-2-carboxylate
SMILESO=C(OC1CCOCC1)c1cc(S(=O)(=O)Cl)c(Br)o1
InChIInChI=1S/C10H10BrClO6S/c11-9-8(19(12,14)15)5-7(18-9)10(13)17-6-1-3-16-4-2-6/h5-6H,1-4H2
InChIKeyXOBCZBMHRBPXLS-UHFFFAOYSA-N
MW373.61 g/mol
LogP2.31
Rot. Bonds3

About oxan-4-yl 5-bromo-4-chlorosulfonylfuran-2-carboxylate

oxan-4-yl 5-bromo-4-chlorosulfonylfuran-2-carboxylate (PubChem CID 65375679) has the molecular formula C10H10BrClO6S and a molecular weight of 373.61 g/mol. Its IUPAC name is oxan-4-yl 5-bromo-4-chlorosulfonylfuran-2-carboxylate.

Molecular Properties

Compound Nameoxan-4-yl 5-bromo-4-chlorosulfonylfuran-2-carboxylate
PubChem CID65375679
Molecular FormulaC10H10BrClO6S
Molecular Weight373.61 g/mol
Exact Mass371.91
IUPAC Nameoxan-4-yl 5-bromo-4-chlorosulfonylfuran-2-carboxylate
SMILESO=C(OC1CCOCC1)c1cc(S(=O)(=O)Cl)c(Br)o1
InChIInChI=1S/C10H10BrClO6S/c11-9-8(19(12,14)15)5-7(18-9)10(13)17-6-1-3-16-4-2-6/h5-6H,1-4H2
InChIKeyXOBCZBMHRBPXLS-UHFFFAOYSA-N
XLogP2.31
TPSA82.81 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.61
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

oxan-4-yl 4-chlorosulfonyl-5-methylfuran-2-carboxylate
CID 65374325
(2-ethylcyclohexyl) 5-bromo-4-chlorosulfonylfuran-2-carboxylate
CID 65397739
oxan-4-yl 5-bromo-3-chlorosulfonyl-2-fluorobenzoate
CID 65376066
oxan-4-yl 4-bromo-3-chlorosulfonyl-5-fluorobenzoate
CID 65375485
(4-methylcyclohexyl) 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65381254
2-bromo-5-(morpholine-4-carbonyl)furan-3-sulfonyl chloride
CID 65371404
2-methylpropyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate
CID 65398126
hexyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate
CID 65373543
oxan-4-yl 2-chloro-5-chlorosulfonylbenzoate
CID 65374517
oxan-4-yl 3-chlorosulfonyl-5-fluorobenzoate
CID 65375874
2-bromo-5-[cyclobutylmethyl(methyl)carbamoyl]furan-3-sulfonyl chloride
CID 65398182
oxolan-3-yl 4-chloro-3-chlorosulfonylbenzoate
CID 65374535

Frequently Asked Questions

What is the IUPAC name of oxan-4-yl 5-bromo-4-chlorosulfonylfuran-2-carboxylate?
The IUPAC name of oxan-4-yl 5-bromo-4-chlorosulfonylfuran-2-carboxylate (CID 65375679) is oxan-4-yl 5-bromo-4-chlorosulfonylfuran-2-carboxylate.
What is the SMILES notation for oxan-4-yl 5-bromo-4-chlorosulfonylfuran-2-carboxylate?
The canonical SMILES for oxan-4-yl 5-bromo-4-chlorosulfonylfuran-2-carboxylate is O=C(OC1CCOCC1)c1cc(S(=O)(=O)Cl)c(Br)o1.
What is the InChIKey of oxan-4-yl 5-bromo-4-chlorosulfonylfuran-2-carboxylate?
The InChIKey is XOBCZBMHRBPXLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10BrClO6S/c11-9-8(19(12,14)15)5-7(18-9)10(13)17-6-1-3-16-4-2-6/h5-6H,1-4H2.
What are the key properties of oxan-4-yl 5-bromo-4-chlorosulfonylfuran-2-carboxylate?
oxan-4-yl 5-bromo-4-chlorosulfonylfuran-2-carboxylate has a molecular weight of 373.61 g/mol, XLogP of 2.31, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for oxan-4-yl 5-bromo-4-chlorosulfonylfuran-2-carboxylate is sourced from PubChem (CID 65375679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).