2-(5,6-dihydro-1,4,2-dioxazin-3-yl)benzenesulfonamide

C9H10N2O4S — CID 10922715

IUPAC2-(5,6-dihydro-1,4,2-dioxazin-3-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C1=NOCCO1
InChIInChI=1S/C9H10N2O4S/c10-16(12,13)8-4-2-1-3-7(8)9-11-15-6-5-14-9/h1-4H,5-6H2,(H2,10,12,13)
InChIKeyFHHDUOODZKDTOI-UHFFFAOYSA-N
MW242.26 g/mol
LogP0.04
Rot. Bonds2

About 2-(5,6-dihydro-1,4,2-dioxazin-3-yl)benzenesulfonamide

2-(5,6-dihydro-1,4,2-dioxazin-3-yl)benzenesulfonamide (PubChem CID 10922715) has the molecular formula C9H10N2O4S and a molecular weight of 242.26 g/mol. Its IUPAC name is 2-(5,6-dihydro-1,4,2-dioxazin-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-(5,6-dihydro-1,4,2-dioxazin-3-yl)benzenesulfonamide
PubChem CID10922715
Molecular FormulaC9H10N2O4S
Molecular Weight242.26 g/mol
Exact Mass242.04
IUPAC Name2-(5,6-dihydro-1,4,2-dioxazin-3-yl)benzenesulfonamide
SMILESNS(=O)(=O)c1ccccc1C1=NOCCO1
InChIInChI=1S/C9H10N2O4S/c10-16(12,13)8-4-2-1-3-7(8)9-11-15-6-5-14-9/h1-4H,5-6H2,(H2,10,12,13)
InChIKeyFHHDUOODZKDTOI-UHFFFAOYSA-N
XLogP0.04
TPSA90.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.26
LogP ≤ 50.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

CID 91587
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CID 568666
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CID 804844
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CID 5563063
CID 5563063
CID 1678245
CID 1678245
CID 9618846
CID 9618846
CID 3163205
CID 3163205
CID 5766455
CID 5766455
CID 9655095
CID 9655095
CID 57218029
CID 57218029
CID 698616
CID 698616
CID 21249805
CID 21249805

Frequently Asked Questions

What is the IUPAC name of 2-(5,6-dihydro-1,4,2-dioxazin-3-yl)benzenesulfonamide?
The IUPAC name of 2-(5,6-dihydro-1,4,2-dioxazin-3-yl)benzenesulfonamide (CID 10922715) is 2-(5,6-dihydro-1,4,2-dioxazin-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-(5,6-dihydro-1,4,2-dioxazin-3-yl)benzenesulfonamide?
The canonical SMILES for 2-(5,6-dihydro-1,4,2-dioxazin-3-yl)benzenesulfonamide is NS(=O)(=O)c1ccccc1C1=NOCCO1.
What is the InChIKey of 2-(5,6-dihydro-1,4,2-dioxazin-3-yl)benzenesulfonamide?
The InChIKey is FHHDUOODZKDTOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2O4S/c10-16(12,13)8-4-2-1-3-7(8)9-11-15-6-5-14-9/h1-4H,5-6H2,(H2,10,12,13).
What are the key properties of 2-(5,6-dihydro-1,4,2-dioxazin-3-yl)benzenesulfonamide?
2-(5,6-dihydro-1,4,2-dioxazin-3-yl)benzenesulfonamide has a molecular weight of 242.26 g/mol, XLogP of 0.04, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5,6-dihydro-1,4,2-dioxazin-3-yl)benzenesulfonamide is sourced from PubChem (CID 10922715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).