3-N-(oxan-3-yl)benzene-1,3-disulfonamide

C11H16N2O5S2 — CID 63361521

IUPAC3-N-(oxan-3-yl)benzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)NC2CCCOC2)c1
InChIInChI=1S/C11H16N2O5S2/c12-19(14,15)10-4-1-5-11(7-10)20(16,17)13-9-3-2-6-18-8-9/h1,4-5,7,9,13H,2-3,6,8H2,(H2,12,14,15)
InChIKeyZDXRQFBYRJBRBF-UHFFFAOYSA-N
MW320.39 g/mol
LogP-0.21
Rot. Bonds4

About 3-N-(oxan-3-yl)benzene-1,3-disulfonamide

3-N-(oxan-3-yl)benzene-1,3-disulfonamide (PubChem CID 63361521) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-N-(oxan-3-yl)benzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-(oxan-3-yl)benzene-1,3-disulfonamide
PubChem CID63361521
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC Name3-N-(oxan-3-yl)benzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)NC2CCCOC2)c1
InChIInChI=1S/C11H16N2O5S2/c12-19(14,15)10-4-1-5-11(7-10)20(16,17)13-9-3-2-6-18-8-9/h1,4-5,7,9,13H,2-3,6,8H2,(H2,12,14,15)
InChIKeyZDXRQFBYRJBRBF-UHFFFAOYSA-N
XLogP-0.21
TPSA115.56 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.39
LogP ≤ 5-0.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-N-(oxan-4-yl)benzene-1,3-disulfonamide
CID 43610535
N-(oxan-3-yl)benzenesulfonamide
CID 63613851
3-(1-aminoethyl)-N-(oxan-3-yl)benzenesulfonamide
CID 55190032
3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide
CID 18284788
3-hydroxy-N-(oxolan-3-yl)benzenesulfonamide
CID 81258676
3-(oxolan-3-ylamino)benzenesulfonamide
CID 63331778
4-(oxan-3-ylsulfamoyl)benzenecarbothioamide
CID 63361664
3-cyano-N-(oxolan-3-yl)benzenesulfonamide
CID 80714272
3-(oxolan-3-ylsulfamoyl)benzoic acid
CID 80717368
2-methyl-4-(oxan-3-ylsulfamoyl)benzenecarbothioamide
CID 106920211
2-amino-6-fluoro-N-(oxan-3-yl)benzenesulfonamide
CID 55189317
3-[(cyclopropylamino)methyl]-N-(oxolan-3-yl)benzenesulfonamide
CID 106072474

Frequently Asked Questions

What is the IUPAC name of 3-N-(oxan-3-yl)benzene-1,3-disulfonamide?
The IUPAC name of 3-N-(oxan-3-yl)benzene-1,3-disulfonamide (CID 63361521) is 3-N-(oxan-3-yl)benzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-(oxan-3-yl)benzene-1,3-disulfonamide?
The canonical SMILES for 3-N-(oxan-3-yl)benzene-1,3-disulfonamide is NS(=O)(=O)c1cccc(S(=O)(=O)NC2CCCOC2)c1.
What is the InChIKey of 3-N-(oxan-3-yl)benzene-1,3-disulfonamide?
The InChIKey is ZDXRQFBYRJBRBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S2/c12-19(14,15)10-4-1-5-11(7-10)20(16,17)13-9-3-2-6-18-8-9/h1,4-5,7,9,13H,2-3,6,8H2,(H2,12,14,15).
What are the key properties of 3-N-(oxan-3-yl)benzene-1,3-disulfonamide?
3-N-(oxan-3-yl)benzene-1,3-disulfonamide has a molecular weight of 320.39 g/mol, XLogP of -0.21, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-N-(oxan-3-yl)benzene-1,3-disulfonamide is sourced from PubChem (CID 63361521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).