3-N-(oxan-4-yl)benzene-1,3-disulfonamide

C11H16N2O5S2 — CID 43610535

IUPAC3-N-(oxan-4-yl)benzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)NC2CCOCC2)c1
InChIInChI=1S/C11H16N2O5S2/c12-19(14,15)10-2-1-3-11(8-10)20(16,17)13-9-4-6-18-7-5-9/h1-3,8-9,13H,4-7H2,(H2,12,14,15)
InChIKeyRATQQIVQZYZQOA-UHFFFAOYSA-N
MW320.39 g/mol
LogP-0.21
Rot. Bonds4

About 3-N-(oxan-4-yl)benzene-1,3-disulfonamide

3-N-(oxan-4-yl)benzene-1,3-disulfonamide (PubChem CID 43610535) has the molecular formula C11H16N2O5S2 and a molecular weight of 320.39 g/mol. Its IUPAC name is 3-N-(oxan-4-yl)benzene-1,3-disulfonamide.

Molecular Properties

Compound Name3-N-(oxan-4-yl)benzene-1,3-disulfonamide
PubChem CID43610535
Molecular FormulaC11H16N2O5S2
Molecular Weight320.39 g/mol
Exact Mass320.05
IUPAC Name3-N-(oxan-4-yl)benzene-1,3-disulfonamide
SMILESNS(=O)(=O)c1cccc(S(=O)(=O)NC2CCOCC2)c1
InChIInChI=1S/C11H16N2O5S2/c12-19(14,15)10-2-1-3-11(8-10)20(16,17)13-9-4-6-18-7-5-9/h1-3,8-9,13H,4-7H2,(H2,12,14,15)
InChIKeyRATQQIVQZYZQOA-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-amino-N-(oxan-4-yl)benzenesulfonamide
CID 43609614
3-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958182
3-N-(oxan-3-yl)benzene-1,3-disulfonamide
CID 63361521
3-N-[3-(cyclopropylsulfamoyl)phenyl]benzene-1,3-disulfonamide
CID 18284788
3-hydroxy-N-(oxolan-3-yl)benzenesulfonamide
CID 81258676
3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726881
3-(oxolan-3-ylamino)benzenesulfonamide
CID 63331778
3-N-(6-oxopiperidin-3-yl)benzene-1,3-disulfonamide
CID 62491456
3-N-(2-methylpiperidin-4-yl)benzene-1,3-disulfonamide
CID 106995777
4-bromo-3-nitro-N-(oxan-4-yl)benzenesulfonamide
CID 90100934
3-N-(2-aminocyclohexyl)benzene-1,3-disulfonamide
CID 61037249
3-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide
CID 60823700

Frequently Asked Questions

What is the IUPAC name of 3-N-(oxan-4-yl)benzene-1,3-disulfonamide?
The IUPAC name of 3-N-(oxan-4-yl)benzene-1,3-disulfonamide (CID 43610535) is 3-N-(oxan-4-yl)benzene-1,3-disulfonamide.
What is the SMILES notation for 3-N-(oxan-4-yl)benzene-1,3-disulfonamide?
The canonical SMILES for 3-N-(oxan-4-yl)benzene-1,3-disulfonamide is NS(=O)(=O)c1cccc(S(=O)(=O)NC2CCOCC2)c1.
What is the InChIKey of 3-N-(oxan-4-yl)benzene-1,3-disulfonamide?
The InChIKey is RATQQIVQZYZQOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O5S2/c12-19(14,15)10-2-1-3-11(8-10)20(16,17)13-9-4-6-18-7-5-9/h1-3,8-9,13H,4-7H2,(H2,12,14,15).
What are the key properties of 3-N-(oxan-4-yl)benzene-1,3-disulfonamide?
3-N-(oxan-4-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-4-yl)benzene-1,3-disulfonamide is sourced from PubChem (CID 43610535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).