6-bromo-1-(6-bromo-1-hydroxyhexyl)sulfonylhexan-1-ol

C12H24Br2O4S — CID 88780509

IUPAC6-bromo-1-(6-bromo-1-hydroxyhexyl)sulfonylhexan-1-ol
SMILESO=S(=O)(C(O)CCCCCBr)C(O)CCCCCBr
InChIInChI=1S/C12H24Br2O4S/c13-9-5-1-3-7-11(15)19(17,18)12(16)8-4-2-6-10-14/h11-12,15-16H,1-10H2
InChIKeySFCRJPIQRPBKLT-UHFFFAOYSA-N
MW424.20 g/mol
LogP2.95
Rot. Bonds12

About 6-bromo-1-(6-bromo-1-hydroxyhexyl)sulfonylhexan-1-ol

6-bromo-1-(6-bromo-1-hydroxyhexyl)sulfonylhexan-1-ol (PubChem CID 88780509) has the molecular formula C12H24Br2O4S and a molecular weight of 424.20 g/mol. Its IUPAC name is 6-bromo-1-(6-bromo-1-hydroxyhexyl)sulfonylhexan-1-ol.

Molecular Properties

Compound Name6-bromo-1-(6-bromo-1-hydroxyhexyl)sulfonylhexan-1-ol
PubChem CID88780509
Molecular FormulaC12H24Br2O4S
Molecular Weight424.20 g/mol
Exact Mass421.98
IUPAC Name6-bromo-1-(6-bromo-1-hydroxyhexyl)sulfonylhexan-1-ol
SMILESO=S(=O)(C(O)CCCCCBr)C(O)CCCCCBr
InChIInChI=1S/C12H24Br2O4S/c13-9-5-1-3-7-11(15)19(17,18)12(16)8-4-2-6-10-14/h11-12,15-16H,1-10H2
InChIKeySFCRJPIQRPBKLT-UHFFFAOYSA-N
XLogP2.95
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.20
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 6-bromo-1-(6-bromo-1-hydroxyhexyl)sulfonylhexan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-bromo-1-(6-bromo-1-hydroxyhexyl)sulfonylhexan-1-ol?
The IUPAC name of 6-bromo-1-(6-bromo-1-hydroxyhexyl)sulfonylhexan-1-ol (CID 88780509) is 6-bromo-1-(6-bromo-1-hydroxyhexyl)sulfonylhexan-1-ol.
What is the SMILES notation for 6-bromo-1-(6-bromo-1-hydroxyhexyl)sulfonylhexan-1-ol?
The canonical SMILES for 6-bromo-1-(6-bromo-1-hydroxyhexyl)sulfonylhexan-1-ol is O=S(=O)(C(O)CCCCCBr)C(O)CCCCCBr.
What is the InChIKey of 6-bromo-1-(6-bromo-1-hydroxyhexyl)sulfonylhexan-1-ol?
The InChIKey is SFCRJPIQRPBKLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24Br2O4S/c13-9-5-1-3-7-11(15)19(17,18)12(16)8-4-2-6-10-14/h11-12,15-16H,1-10H2.
What are the key properties of 6-bromo-1-(6-bromo-1-hydroxyhexyl)sulfonylhexan-1-ol?
6-bromo-1-(6-bromo-1-hydroxyhexyl)sulfonylhexan-1-ol has a molecular weight of 424.20 g/mol, XLogP of 2.95, 12 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-1-(6-bromo-1-hydroxyhexyl)sulfonylhexan-1-ol is sourced from PubChem (CID 88780509), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).