hexyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate

C11H14BrClO5S — CID 65373543

IUPAChexyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate
SMILESCCCCCCOC(=O)c1cc(S(=O)(=O)Cl)c(Br)o1
InChIInChI=1S/C11H14BrClO5S/c1-2-3-4-5-6-17-11(14)8-7-9(10(12)18-8)19(13,15)16/h7H,2-6H2,1H3
InChIKeyMUXDVJHVVQQHNU-UHFFFAOYSA-N
MW373.65 g/mol
LogP3.71
Rot. Bonds7

About hexyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate

hexyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate (PubChem CID 65373543) has the molecular formula C11H14BrClO5S and a molecular weight of 373.65 g/mol. Its IUPAC name is hexyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate.

Molecular Properties

Compound Namehexyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate
PubChem CID65373543
Molecular FormulaC11H14BrClO5S
Molecular Weight373.65 g/mol
Exact Mass371.94
IUPAC Namehexyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate
SMILESCCCCCCOC(=O)c1cc(S(=O)(=O)Cl)c(Br)o1
InChIInChI=1S/C11H14BrClO5S/c1-2-3-4-5-6-17-11(14)8-7-9(10(12)18-8)19(13,15)16/h7H,2-6H2,1H3
InChIKeyMUXDVJHVVQQHNU-UHFFFAOYSA-N
XLogP3.71
TPSA73.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.65
LogP ≤ 53.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze hexyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

hexyl 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65382703
octyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate
CID 65375670
2-methylpropyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate
CID 65398126
hexyl 2,4-dichloro-5-chlorosulfonylbenzoate
CID 65375280
2-methoxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65381468
heptyl 2-chlorosulfonylbenzoate
CID 87744508
hexyl 2-chloro-5-chlorosulfonyl-4-fluorobenzoate
CID 65374897
2-(3-methoxypropoxy)ethyl 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 103181676
2-propan-2-yloxyethyl 5-bromo-4-sulfamoylfuran-2-carboxylate
CID 65382070
oxan-4-yl 5-bromo-4-chlorosulfonylfuran-2-carboxylate
CID 65375679
2-ethylhexyl 4-chlorosulfonyl-5-methylfuran-2-carboxylate
CID 65373732
heptyl 3-chlorosulfonylbenzoate
CID 65374308

Frequently Asked Questions

What is the IUPAC name of hexyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate?
The IUPAC name of hexyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate (CID 65373543) is hexyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate.
What is the SMILES notation for hexyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate?
The canonical SMILES for hexyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate is CCCCCCOC(=O)c1cc(S(=O)(=O)Cl)c(Br)o1.
What is the InChIKey of hexyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate?
The InChIKey is MUXDVJHVVQQHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrClO5S/c1-2-3-4-5-6-17-11(14)8-7-9(10(12)18-8)19(13,15)16/h7H,2-6H2,1H3.
What are the key properties of hexyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate?
hexyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate has a molecular weight of 373.65 g/mol, XLogP of 3.71, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for hexyl 5-bromo-4-chlorosulfonylfuran-2-carboxylate is sourced from PubChem (CID 65373543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).