dodecane-1,12-disulfonamide

C12H28N2O4S2 — CID 57288842

IUPACdodecane-1,12-disulfonamide
SMILESNS(=O)(=O)CCCCCCCCCCCCS(N)(=O)=O
InChIInChI=1S/C12H28N2O4S2/c13-19(15,16)11-9-7-5-3-1-2-4-6-8-10-12-20(14,17)18/h1-12H2,(H2,13,15,16)(H2,14,17,18)
InChIKeyCZCZOAXQDNIBKV-UHFFFAOYSA-N
MW328.50 g/mol
LogP1.46
Rot. Bonds13

About dodecane-1,12-disulfonamide

dodecane-1,12-disulfonamide (PubChem CID 57288842) has the molecular formula C12H28N2O4S2 and a molecular weight of 328.50 g/mol. Its IUPAC name is dodecane-1,12-disulfonamide.

Molecular Properties

Compound Namedodecane-1,12-disulfonamide
PubChem CID57288842
Molecular FormulaC12H28N2O4S2
Molecular Weight328.50 g/mol
Exact Mass328.15
IUPAC Namedodecane-1,12-disulfonamide
SMILESNS(=O)(=O)CCCCCCCCCCCCS(N)(=O)=O
InChIInChI=1S/C12H28N2O4S2/c13-19(15,16)11-9-7-5-3-1-2-4-6-8-10-12-20(14,17)18/h1-12H2,(H2,13,15,16)(H2,14,17,18)
InChIKeyCZCZOAXQDNIBKV-UHFFFAOYSA-N
XLogP1.46
TPSA120.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.50
LogP ≤ 51.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

propane-1,3-disulfonamide
CID 22153832
7-sulfanylheptane-1-sulfonamide
CID 10353110
pentacosane-1-sulfonamide
CID 149252389
4-hydroxybutane-1-sulfonamide
CID 21436386
4-chlorobutane-1-sulfonamide
CID 18461
5-cyclopropylpentane-1-sulfonamide
CID 67223678
3-sulfanylpropane-1-sulfonamide
CID 86156590
4-trimethylsilylbutane-1-sulfonamide
CID 174901247
butane-1-sulfonamide;dihydrochloride
CID 140980497
CID 175918224
CID 175918224
9-propoxynonane-1-sulfonamide
CID 105343921
6-phenylhexane-1-sulfonamide
CID 67179834

Frequently Asked Questions

What is the IUPAC name of dodecane-1,12-disulfonamide?
The IUPAC name of dodecane-1,12-disulfonamide (CID 57288842) is dodecane-1,12-disulfonamide.
What is the SMILES notation for dodecane-1,12-disulfonamide?
The canonical SMILES for dodecane-1,12-disulfonamide is NS(=O)(=O)CCCCCCCCCCCCS(N)(=O)=O.
What is the InChIKey of dodecane-1,12-disulfonamide?
The InChIKey is CZCZOAXQDNIBKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28N2O4S2/c13-19(15,16)11-9-7-5-3-1-2-4-6-8-10-12-20(14,17)18/h1-12H2,(H2,13,15,16)(H2,14,17,18).
What are the key properties of dodecane-1,12-disulfonamide?
dodecane-1,12-disulfonamide has a molecular weight of 328.50 g/mol, XLogP of 1.46, 13 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for dodecane-1,12-disulfonamide is sourced from PubChem (CID 57288842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).