3-N-[2-(2-hydroxyethoxy)ethyl]benzene-1,3-disulfonamide

C10H16N2O6S2 — CID 62497976

IUPAC3-N-[2-(2-hydroxyethoxy)ethyl]benzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)NCCOCCO)c1
InChIInChI=1S/C10H16N2O6S2/c11-19(14,15)9-2-1-3-10(8-9)20(16,17)12-4-6-18-7-5-13/h1-3,8,12-13H,4-7H2,(H2,11,14,15)
InChIKeyKYUABAMNXGHOHX-UHFFFAOYSA-N
MW324.38 g/mol
LogP-1.38
Rot. Bonds8

About 3-N-[2-(2-hydroxyethoxy)ethyl]benzene-1,3-disulfonamide

3-N-[2-(2-hydroxyethoxy)ethyl]benzene-1,3-disulfonamide (PubChem CID 62497976) has the molecular formula C10H16N2O6S2 and a molecular weight of 324.38 g/mol. Its IUPAC name is 3-N-[2-(2-hydroxyethoxy)ethyl]benzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-[2-(2-hydroxyethoxy)ethyl]benzene-1,3-disulfonamide
PubChem CID62497976
Molecular FormulaC10H16N2O6S2
Molecular Weight324.38 g/mol
Exact Mass324.04
IUPAC Name3-N-[2-(2-hydroxyethoxy)ethyl]benzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)NCCOCCO)c1
InChIInChI=1S/C10H16N2O6S2/c11-19(14,15)9-2-1-3-10(8-9)20(16,17)12-4-6-18-7-5-13/h1-3,8,12-13H,4-7H2,(H2,11,14,15)
InChIKeyKYUABAMNXGHOHX-UHFFFAOYSA-N
XLogP-1.38
TPSA135.79 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.38
LogP ≤ 5-1.38
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-N-[2-(2-methylpropoxy)ethyl]benzene-1,3-disulfonamide
CID 115588283
3-[2-(2-hydroxyethoxy)ethylsulfamoyl]benzoic acid
CID 62499277
2-(2-aminoethoxy)ethanol;3-bromobenzenesulfonyl chloride;3-bromo-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 160861849
3-N-[2-(2-methoxyethylamino)ethyl]benzene-1,3-disulfonamide
CID 83036725
3-[3-(2-hydroxyethoxy)propylsulfamoyl]benzoic acid
CID 106305240
4-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 61248662
N-[2-(2-aminoethoxy)ethyl]-3-fluorobenzenesulfonamide
CID 55243530
3-amino-5-fluoro-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 63322367
3-chloro-N-[2-(2-hydroxyethoxy)ethyl]-4-methoxybenzenesulfonamide
CID 62498134
3-N-pent-3-ynylbenzene-1,3-disulfonamide
CID 115978023
5-amino-2-bromo-N-[2-(2-hydroxyethoxy)ethyl]benzenesulfonamide
CID 65207124
3-amino-N-[2-(2-hydroxyethoxy)ethyl]-4,5-dimethylbenzenesulfonamide
CID 62499253

Frequently Asked Questions

What is the IUPAC name of 3-N-[2-(2-hydroxyethoxy)ethyl]benzene-1,3-disulfonamide?
The IUPAC name of 3-N-[2-(2-hydroxyethoxy)ethyl]benzene-1,3-disulfonamide (CID 62497976) is 3-N-[2-(2-hydroxyethoxy)ethyl]benzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-[2-(2-hydroxyethoxy)ethyl]benzene-1,3-disulfonamide?
The canonical SMILES for 3-N-[2-(2-hydroxyethoxy)ethyl]benzene-1,3-disulfonamide is NS(=O)(=O)c1cccc(S(=O)(=O)NCCOCCO)c1.
What is the InChIKey of 3-N-[2-(2-hydroxyethoxy)ethyl]benzene-1,3-disulfonamide?
The InChIKey is KYUABAMNXGHOHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O6S2/c11-19(14,15)9-2-1-3-10(8-9)20(16,17)12-4-6-18-7-5-13/h1-3,8,12-13H,4-7H2,(H2,11,14,15).
What are the key properties of 3-N-[2-(2-hydroxyethoxy)ethyl]benzene-1,3-disulfonamide?
3-N-[2-(2-hydroxyethoxy)ethyl]benzene-1,3-disulfonamide has a molecular weight of 324.38 g/mol, XLogP of -1.38, 8 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-[2-(2-hydroxyethoxy)ethyl]benzene-1,3-disulfonamide is sourced from PubChem (CID 62497976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).