ethane-1,2-diol;ethane-1,2-disulfonamide

C4H14N2O6S2 — CID 23286412

IUPACethane-1,2-diol;ethane-1,2-disulfonamide
SMILESNS(=O)(=O)CCS(N)(=O)=O.OCCO
InChIInChI=1S/C2H8N2O4S2.C2H6O2/c3-9(5,6)1-2-10(4,7)8;3-1-2-4/h1-2H2,(H2,3,5,6)(H2,4,7,8);3-4H,1-2H2
InChIKeyKOLNWMBSVMRMPT-UHFFFAOYSA-N
MW250.30 g/mol
LogP-3.47
Rot. Bonds4

About ethane-1,2-diol;ethane-1,2-disulfonamide

ethane-1,2-diol;ethane-1,2-disulfonamide (PubChem CID 23286412) has the molecular formula C4H14N2O6S2 and a molecular weight of 250.30 g/mol. Its IUPAC name is ethane-1,2-diol;ethane-1,2-disulfonamide.

Molecular Properties

Compound Nameethane-1,2-diol;ethane-1,2-disulfonamide
PubChem CID23286412
Molecular FormulaC4H14N2O6S2
Molecular Weight250.30 g/mol
Exact Mass250.03
IUPAC Nameethane-1,2-diol;ethane-1,2-disulfonamide
SMILESNS(=O)(=O)CCS(N)(=O)=O.OCCO
InChIInChI=1S/C2H8N2O4S2.C2H6O2/c3-9(5,6)1-2-10(4,7)8;3-1-2-4/h1-2H2,(H2,3,5,6)(H2,4,7,8);3-4H,1-2H2
InChIKeyKOLNWMBSVMRMPT-UHFFFAOYSA-N
XLogP-3.47
TPSA160.78 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 5-3.47
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of ethane-1,2-diol;ethane-1,2-disulfonamide?
The IUPAC name of ethane-1,2-diol;ethane-1,2-disulfonamide (CID 23286412) is ethane-1,2-diol;ethane-1,2-disulfonamide.
What is the SMILES notation for ethane-1,2-diol;ethane-1,2-disulfonamide?
The canonical SMILES for ethane-1,2-diol;ethane-1,2-disulfonamide is NS(=O)(=O)CCS(N)(=O)=O.OCCO.
What is the InChIKey of ethane-1,2-diol;ethane-1,2-disulfonamide?
The InChIKey is KOLNWMBSVMRMPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H8N2O4S2.C2H6O2/c3-9(5,6)1-2-10(4,7)8;3-1-2-4/h1-2H2,(H2,3,5,6)(H2,4,7,8);3-4H,1-2H2.
What are the key properties of ethane-1,2-diol;ethane-1,2-disulfonamide?
ethane-1,2-diol;ethane-1,2-disulfonamide has a molecular weight of 250.30 g/mol, XLogP of -3.47, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,2-diol;ethane-1,2-disulfonamide is sourced from PubChem (CID 23286412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).