6-chloro-2-[(sulfamoylsulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine

C9H12ClN3O6S2 — CID 78107340

IUPAC6-chloro-2-[(sulfamoylsulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine
SMILESNS(=O)(=O)NS(=O)(=O)NCC1COc2cc(Cl)ccc2O1
InChIInChI=1S/C9H12ClN3O6S2/c10-6-1-2-8-9(3-6)18-5-7(19-8)4-12-21(16,17)13-20(11,14)15/h1-3,7,12-13H,4-5H2,(H2,11,14,15)
InChIKeyQRCQYHLAFPJIQE-UHFFFAOYSA-N
MW357.80 g/mol
LogP-0.89
Rot. Bonds5

About 6-chloro-2-[(sulfamoylsulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine

6-chloro-2-[(sulfamoylsulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine (PubChem CID 78107340) has the molecular formula C9H12ClN3O6S2 and a molecular weight of 357.80 g/mol. Its IUPAC name is 6-chloro-2-[(sulfamoylsulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-chloro-2-[(sulfamoylsulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine
PubChem CID78107340
Molecular FormulaC9H12ClN3O6S2
Molecular Weight357.80 g/mol
Exact Mass356.99
IUPAC Name6-chloro-2-[(sulfamoylsulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine
SMILESNS(=O)(=O)NS(=O)(=O)NCC1COc2cc(Cl)ccc2O1
InChIInChI=1S/C9H12ClN3O6S2/c10-6-1-2-8-9(3-6)18-5-7(19-8)4-12-21(16,17)13-20(11,14)15/h1-3,7,12-13H,4-5H2,(H2,11,14,15)
InChIKeyQRCQYHLAFPJIQE-UHFFFAOYSA-N
XLogP-0.89
TPSA136.82 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.80
LogP ≤ 5-0.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-6-chloro-2-[(sulfinamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine
CID 71176548
ethane;(3S)-3-[(sulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine
CID 91396275
2-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-4-fluorobenzenesulfonamide
CID 134040418
[(3S)-6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine;sulfane
CID 159919789
N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-4-fluoro-3-methylbenzenesulfonamide
CID 99645862
4-chloro-N-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)-2-fluorobenzamide
CID 51230523
(E)-2-(4-chlorophenyl)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]ethenesulfonamide
CID 32940542
N-[[1-[(6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl)methyl]piperidin-4-yl]methyl]-4-(trifluoromethyl)benzenesulfonamide
CID 23284832
3-(bromomethyl)-6-chloro-2,3-dihydro-1,4-benzodioxine
CID 90273101
3-[(6-chloro-2,3-dihydro-1,4-benzodioxin-2-yl)methyl-methylamino]propanoic acid;hydrochloride
CID 67779822
N-benzyl-1-[(3S)-6-chloro-2,3-dihydro-1,4-benzodioxin-3-yl]methanamine
CID 125479896
N-[(5-chloro-2-fluorophenyl)methyl]-1-(2,3-dihydro-1,4-benzodioxin-3-yl)methanamine
CID 115761415

Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-[(sulfamoylsulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-chloro-2-[(sulfamoylsulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine (CID 78107340) is 6-chloro-2-[(sulfamoylsulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-chloro-2-[(sulfamoylsulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-chloro-2-[(sulfamoylsulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine is NS(=O)(=O)NS(=O)(=O)NCC1COc2cc(Cl)ccc2O1.
What is the InChIKey of 6-chloro-2-[(sulfamoylsulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine?
The InChIKey is QRCQYHLAFPJIQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12ClN3O6S2/c10-6-1-2-8-9(3-6)18-5-7(19-8)4-12-21(16,17)13-20(11,14)15/h1-3,7,12-13H,4-5H2,(H2,11,14,15).
What are the key properties of 6-chloro-2-[(sulfamoylsulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine?
6-chloro-2-[(sulfamoylsulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine has a molecular weight of 357.80 g/mol, XLogP of -0.89, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-[(sulfamoylsulfamoylamino)methyl]-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 78107340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).