3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide

C11H18N2O5S2 — CID 61384378

IUPAC3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide
SMILESCCN(CCOC)S(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H18N2O5S2/c1-3-13(7-8-18-2)20(16,17)11-6-4-5-10(9-11)19(12,14)15/h4-6,9H,3,7-8H2,1-2H3,(H2,12,14,15)
InChIKeyQNVALUJIDMPOGK-UHFFFAOYSA-N
MW322.41 g/mol
LogP-0.01
Rot. Bonds7

About 3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide

3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide (PubChem CID 61384378) has the molecular formula C11H18N2O5S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide
PubChem CID61384378
Molecular FormulaC11H18N2O5S2
Molecular Weight322.41 g/mol
Exact Mass322.07
IUPAC Name3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide
SMILESCCN(CCOC)S(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H18N2O5S2/c1-3-13(7-8-18-2)20(16,17)11-6-4-5-10(9-11)19(12,14)15/h4-6,9H,3,7-8H2,1-2H3,(H2,12,14,15)
InChIKeyQNVALUJIDMPOGK-UHFFFAOYSA-N
XLogP-0.01
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 5-0.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

3-N-ethyl-3-N-propylbenzene-1,3-disulfonamide
CID 43269074
3-N-(2-methoxyethyl)-3-N-prop-2-enylbenzene-1,3-disulfonamide
CID 103339915
3-[ethyl(2-methoxyethyl)sulfamoyl]benzoic acid
CID 61384452
1-N-ethyl-2-fluoro-1-N-(2-methoxyethyl)benzene-1,4-disulfonamide
CID 61384433
3-(benzenesulfonyl)-N-ethyl-N-(3-methoxypropyl)benzenesulfonamide
CID 174560677
3-N-ethyl-3-N-(2-methylpropyl)benzene-1,3-disulfonamide
CID 43274039
3-[bis(2-methoxyethyl)sulfamoyl]benzoic acid
CID 2119389
4-(bromomethyl)-N-ethyl-N-(2-methoxyethyl)benzenesulfonamide
CID 65482217
2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid
CID 61008189
N-ethyl-N-[2-[ethyl-(3-hydroxyphenyl)sulfonylamino]ethyl]-3-hydroxybenzenesulfonamide
CID 46232296
3-amino-4-bromo-N,N-bis(2-methoxyethyl)benzenesulfonamide
CID 115328826
2-[butyl-(3-sulfamoylphenyl)sulfonylamino]acetamide
CID 55702921

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide?
The IUPAC name of 3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide (CID 61384378) is 3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide?
The canonical SMILES for 3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide is CCN(CCOC)S(=O)(=O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide?
The InChIKey is QNVALUJIDMPOGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S2/c1-3-13(7-8-18-2)20(16,17)11-6-4-5-10(9-11)19(12,14)15/h4-6,9H,3,7-8H2,1-2H3,(H2,12,14,15).
What are the key properties of 3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide?
3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide has a molecular weight of 322.41 g/mol, XLogP of -0.01, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide is sourced from PubChem (CID 61384378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).