4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide

C11H18N2O5S2 — CID 115650655

IUPAC4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H18N2O5S2/c1-3-18-9(2)8-13-20(16,17)11-6-4-10(5-7-11)19(12,14)15/h4-7,9,13H,3,8H2,1-2H3,(H2,12,14,15)
InChIKeyAZFWLOZNXIOACR-UHFFFAOYSA-N
MW322.41 g/mol
LogP0.04
Rot. Bonds7

About 4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide

4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide (PubChem CID 115650655) has the molecular formula C11H18N2O5S2 and a molecular weight of 322.41 g/mol. Its IUPAC name is 4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide.

Molecular Properties

Compound Name4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide
PubChem CID115650655
Molecular FormulaC11H18N2O5S2
Molecular Weight322.41 g/mol
Exact Mass322.07
IUPAC Name4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide
SMILESCCOC(C)CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C11H18N2O5S2/c1-3-18-9(2)8-13-20(16,17)11-6-4-10(5-7-11)19(12,14)15/h4-7,9,13H,3,8H2,1-2H3,(H2,12,14,15)
InChIKeyAZFWLOZNXIOACR-UHFFFAOYSA-N
XLogP0.04
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.41
LogP ≤ 50.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-ethoxypropyl)-4-methoxybenzenesulfonamide
CID 166983040
4-(2-aminoethoxy)-N-(2-ethoxypropyl)benzenesulfonamide
CID 106078716
6-(aminomethyl)-N-(2-ethoxypropyl)pyridine-3-sulfonamide
CID 114613742
4-N-(2-ethylbutyl)benzene-1,4-disulfonamide
CID 115613409
2-ethoxy-1-(sulfamoylamino)propane
CID 115650675
3-(aminomethyl)-4-chloro-N-(2-ethoxypropyl)benzenesulfonamide
CID 106078885
N-[2-(aminomethoxy)propyl]benzenesulfonamide
CID 172608370
5-(aminomethyl)-N-(2-ethoxypropyl)thiophene-3-sulfonamide
CID 114142018
2-ethoxypropylsulfamic acid
CID 174221196
N-(2-ethoxypropyl)-2-fluoro-4-sulfamoylbenzamide
CID 115883708
5-(aminomethyl)-N-(2-ethoxypropyl)-2-ethylbenzenesulfonamide
CID 106078747
4-N-(2,2,3-trimethylbutyl)benzene-1,4-disulfonamide
CID 102609395

Frequently Asked Questions

What is the IUPAC name of 4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide?
The IUPAC name of 4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide (CID 115650655) is 4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide.
What is the SMILES notation for 4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide?
The canonical SMILES for 4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide is CCOC(C)CNS(=O)(=O)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of 4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide?
The InChIKey is AZFWLOZNXIOACR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O5S2/c1-3-18-9(2)8-13-20(16,17)11-6-4-10(5-7-11)19(12,14)15/h4-7,9,13H,3,8H2,1-2H3,(H2,12,14,15).
What are the key properties of 4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide?
4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide has a molecular weight of 322.41 g/mol, XLogP of 0.04, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(2-ethoxypropyl)benzene-1,4-disulfonamide is sourced from PubChem (CID 115650655), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).