3-N-ethyl-3-N-(oxetan-3-yl)benzene-1,3-disulfonamide

C11H16N2O5S2 — CID 166235680

IUPAC3-N-ethyl-3-N-(oxetan-3-yl)benzene-1,3-disulfonamide
SMILESCCN(C1COC1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H16N2O5S2/c1-2-13(9-7-18-8-9)20(16,17)11-5-3-4-10(6-11)19(12,14)15/h3-6,9H,2,7-8H2,1H3,(H2,12,14,15)
InChIKeyBVKDMQUJJZMWQE-UHFFFAOYSA-N
MW320.39 g/mol
LogP-0.26
Rot. Bonds5

About 3-N-ethyl-3-N-(oxetan-3-yl)benzene-1,3-disulfonamide

3-N-ethyl-3-N-(oxetan-3-yl)benzene-1,3-disulfonamide (PubChem CID 166235680) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-N-ethyl-3-N-(oxetan-3-yl)benzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-ethyl-3-N-(oxetan-3-yl)benzene-1,3-disulfonamide
PubChem CID166235680
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC Name3-N-ethyl-3-N-(oxetan-3-yl)benzene-1,3-disulfonamide
SMILESCCN(C1COC1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C11H16N2O5S2/c1-2-13(9-7-18-8-9)20(16,17)11-5-3-4-10(6-11)19(12,14)15/h3-6,9H,2,7-8H2,1H3,(H2,12,14,15)
InChIKeyBVKDMQUJJZMWQE-UHFFFAOYSA-N
XLogP-0.26
TPSA106.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 5-0.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[cyclopropyl(ethyl)sulfamoyl]benzenesulfonyl fluoride
CID 114791269
2-[cyclopropyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid
CID 60827715
3-N-benzyl-3-N-cyclopropylbenzene-1,3-disulfonamide
CID 31820934
3-N-ethyl-3-N-propylbenzene-1,3-disulfonamide
CID 43269074
3-(aminomethyl)-N-cyclopentyl-N-ethylbenzenesulfonamide
CID 43541173
benzene-1,3-disulfonamide
CID 3090044
3-N-ethyl-3-N-(2-methylpropyl)benzene-1,3-disulfonamide
CID 43274039
N-ethyl-3-fluoro-N-piperidin-4-ylbenzenesulfonamide
CID 60806933
3-amino-N-cyclopropyl-N-ethyl-4-hydroxybenzenesulfonamide
CID 43263873
3-N-ethyl-3-N-(2-methoxyethyl)benzene-1,3-disulfonamide
CID 61384378
N-(azetidin-3-yl)-3-cyano-N-ethylbenzenesulfonamide
CID 66183415
2-[propyl-(3-sulfamoylphenyl)sulfonylamino]acetic acid
CID 61008189

Frequently Asked Questions

What is the IUPAC name of 3-N-ethyl-3-N-(oxetan-3-yl)benzene-1,3-disulfonamide?
The IUPAC name of 3-N-ethyl-3-N-(oxetan-3-yl)benzene-1,3-disulfonamide (CID 166235680) is 3-N-ethyl-3-N-(oxetan-3-yl)benzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-ethyl-3-N-(oxetan-3-yl)benzene-1,3-disulfonamide?
The canonical SMILES for 3-N-ethyl-3-N-(oxetan-3-yl)benzene-1,3-disulfonamide is CCN(C1COC1)S(=O)(=O)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of 3-N-ethyl-3-N-(oxetan-3-yl)benzene-1,3-disulfonamide?
The InChIKey is BVKDMQUJJZMWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S2/c1-2-13(9-7-18-8-9)20(16,17)11-5-3-4-10(6-11)19(12,14)15/h3-6,9H,2,7-8H2,1H3,(H2,12,14,15).
What are the key properties of 3-N-ethyl-3-N-(oxetan-3-yl)benzene-1,3-disulfonamide?
3-N-ethyl-3-N-(oxetan-3-yl)benzene-1,3-disulfonamide has a molecular weight of 320.39 g/mol, XLogP of -0.26, 5 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-(oxetan-3-yl)benzene-1,3-disulfonamide is sourced from PubChem (CID 166235680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).