ethane-1,1-disulfonic acid;ethanesulfonamide

C4H13NO8S3 — CID 174583583

IUPACethane-1,1-disulfonic acid;ethanesulfonamide
SMILESCC(S(=O)(=O)O)S(=O)(=O)O.CCS(N)(=O)=O
InChIInChI=1S/C2H7NO2S.C2H6O6S2/c1-2-6(3,4)5;1-2(9(3,4)5)10(6,7)8/h2H2,1H3,(H2,3,4,5);2H,1H3,(H,3,4,5)(H,6,7,8)
InChIKeyRIBKGXBEJQRSIS-UHFFFAOYSA-N
MW299.35 g/mol
LogP-1.60
Rot. Bonds3

About ethane-1,1-disulfonic acid;ethanesulfonamide

ethane-1,1-disulfonic acid;ethanesulfonamide (PubChem CID 174583583) has the molecular formula C4H13NO8S3 and a molecular weight of 299.35 g/mol. Its IUPAC name is ethane-1,1-disulfonic acid;ethanesulfonamide.

Molecular Properties

Compound Nameethane-1,1-disulfonic acid;ethanesulfonamide
PubChem CID174583583
Molecular FormulaC4H13NO8S3
Molecular Weight299.35 g/mol
Exact Mass298.98
IUPAC Nameethane-1,1-disulfonic acid;ethanesulfonamide
SMILESCC(S(=O)(=O)O)S(=O)(=O)O.CCS(N)(=O)=O
InChIInChI=1S/C2H7NO2S.C2H6O6S2/c1-2-6(3,4)5;1-2(9(3,4)5)10(6,7)8/h2H2,1H3,(H2,3,4,5);2H,1H3,(H,3,4,5)(H,6,7,8)
InChIKeyRIBKGXBEJQRSIS-UHFFFAOYSA-N
XLogP-1.60
TPSA168.90 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.35
LogP ≤ 5-1.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

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Related Compounds

ethane-1,1-disulfonic acid;formamide
CID 175238260
1-ethoxysulfonylethanesulfonic acid
CID 87494252
(2R)-butane-2-sulfonic acid
CID 46398806
sulfuric acid;triethyl(methyl)phosphanium
CID 174902291
(2R)-1-aminopropane-2-sulfonic acid
CID 55285188
CID 87069248
CID 87069248
azane;hydron;1-sulfoethanesulfonate
CID 173184387
sulfuric acid;tetramethylphosphanium
CID 87132357
sodium propane-2-sulfonic acid
CID 23363435
(Z)-but-2-enedioic acid;ethanesulfonamide
CID 174568618
potassium 1-aminopropane-2-sulfonic acid
CID 23077128
(1R)-1-[[(1R)-1-sulfoethyl]-[(1S)-1-sulfoethyl]amino]ethanesulfonic acid
CID 92855665

Frequently Asked Questions

What is the IUPAC name of ethane-1,1-disulfonic acid;ethanesulfonamide?
The IUPAC name of ethane-1,1-disulfonic acid;ethanesulfonamide (CID 174583583) is ethane-1,1-disulfonic acid;ethanesulfonamide.
What is the SMILES notation for ethane-1,1-disulfonic acid;ethanesulfonamide?
The canonical SMILES for ethane-1,1-disulfonic acid;ethanesulfonamide is CC(S(=O)(=O)O)S(=O)(=O)O.CCS(N)(=O)=O.
What is the InChIKey of ethane-1,1-disulfonic acid;ethanesulfonamide?
The InChIKey is RIBKGXBEJQRSIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C2H7NO2S.C2H6O6S2/c1-2-6(3,4)5;1-2(9(3,4)5)10(6,7)8/h2H2,1H3,(H2,3,4,5);2H,1H3,(H,3,4,5)(H,6,7,8).
What are the key properties of ethane-1,1-disulfonic acid;ethanesulfonamide?
ethane-1,1-disulfonic acid;ethanesulfonamide has a molecular weight of 299.35 g/mol, XLogP of -1.60, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethane-1,1-disulfonic acid;ethanesulfonamide is sourced from PubChem (CID 174583583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).