2-(oxan-4-ylsulfamoyl)benzenesulfonyl chloride

C11H14ClNO5S2 — CID 164863531

IUPAC2-(oxan-4-ylsulfamoyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccccc1S(=O)(=O)NC1CCOCC1
InChIInChI=1S/C11H14ClNO5S2/c12-19(14,15)10-3-1-2-4-11(10)20(16,17)13-9-5-7-18-8-6-9/h1-4,9,13H,5-8H2
InChIKeyAMXFVOGTORMCBB-UHFFFAOYSA-N
MW339.82 g/mol
LogP1.07
Rot. Bonds4

About 2-(oxan-4-ylsulfamoyl)benzenesulfonyl chloride

2-(oxan-4-ylsulfamoyl)benzenesulfonyl chloride (PubChem CID 164863531) has the molecular formula C11H14ClNO5S2 and a molecular weight of 339.82 g/mol. Its IUPAC name is 2-(oxan-4-ylsulfamoyl)benzenesulfonyl chloride.

Molecular Properties

Compound Name2-(oxan-4-ylsulfamoyl)benzenesulfonyl chloride
PubChem CID164863531
Molecular FormulaC11H14ClNO5S2
Molecular Weight339.82 g/mol
Exact Mass339.00
IUPAC Name2-(oxan-4-ylsulfamoyl)benzenesulfonyl chloride
SMILESO=S(=O)(Cl)c1ccccc1S(=O)(=O)NC1CCOCC1
InChIInChI=1S/C11H14ClNO5S2/c12-19(14,15)10-3-1-2-4-11(10)20(16,17)13-9-5-7-18-8-6-9/h1-4,9,13H,5-8H2
InChIKeyAMXFVOGTORMCBB-UHFFFAOYSA-N
XLogP1.07
TPSA89.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.82
LogP ≤ 51.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726925
2-(4-hydroxybut-1-ynyl)-N-(oxan-4-yl)benzenesulfonamide
CID 60823701
N-cyclopropyl-2-(morpholin-4-ylamino)benzenesulfonamide
CID 83025778
3,4-dichloro-N-(oxan-4-yl)benzenesulfonamide
CID 110726881
1-N-(oxolan-3-yl)-2-N-(1,3,4-thiadiazol-2-yl)benzene-1,2-disulfonamide
CID 126817083
3-(oxan-4-ylsulfamoyl)thiophene-2-carboxylic acid
CID 43609997
N-cyclopropyl-2-(cyclopropylamino)benzenesulfonamide
CID 43454646
3-N-(oxan-4-yl)benzene-1,3-disulfonamide
CID 43610535
3-amino-N-(oxan-4-yl)benzenesulfonamide
CID 43609614
3-(oxan-4-ylsulfamoyl)benzenesulfonyl fluoride
CID 114958182
2-amino-5-methylsulfonyl-N-(oxan-4-yl)benzenesulfonamide
CID 62145782
5-amino-2-chloro-4-fluoro-N-(oxan-4-yl)benzenesulfonamide
CID 61111911

Frequently Asked Questions

What is the IUPAC name of 2-(oxan-4-ylsulfamoyl)benzenesulfonyl chloride?
The IUPAC name of 2-(oxan-4-ylsulfamoyl)benzenesulfonyl chloride (CID 164863531) is 2-(oxan-4-ylsulfamoyl)benzenesulfonyl chloride.
What is the SMILES notation for 2-(oxan-4-ylsulfamoyl)benzenesulfonyl chloride?
The canonical SMILES for 2-(oxan-4-ylsulfamoyl)benzenesulfonyl chloride is O=S(=O)(Cl)c1ccccc1S(=O)(=O)NC1CCOCC1.
What is the InChIKey of 2-(oxan-4-ylsulfamoyl)benzenesulfonyl chloride?
The InChIKey is AMXFVOGTORMCBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClNO5S2/c12-19(14,15)10-3-1-2-4-11(10)20(16,17)13-9-5-7-18-8-6-9/h1-4,9,13H,5-8H2.
What are the key properties of 2-(oxan-4-ylsulfamoyl)benzenesulfonyl chloride?
2-(oxan-4-ylsulfamoyl)benzenesulfonyl chloride has a molecular weight of 339.82 g/mol, XLogP of 1.07, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxan-4-ylsulfamoyl)benzenesulfonyl chloride is sourced from PubChem (CID 164863531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).