1-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide

C9H10BrNO4S — CID 83092877

IUPAC1-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
SMILESO=S(=O)(CBr)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C9H10BrNO4S/c10-6-16(12,13)11-7-1-2-8-9(5-7)15-4-3-14-8/h1-2,5,11H,3-4,6H2
InChIKeyZWAVKKMXTGPLDS-UHFFFAOYSA-N
MW308.15 g/mol
LogP1.55
Rot. Bonds3

About 1-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide

1-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide (PubChem CID 83092877) has the molecular formula C9H10BrNO4S and a molecular weight of 308.15 g/mol. Its IUPAC name is 1-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide.

Molecular Properties

Compound Name1-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
PubChem CID83092877
Molecular FormulaC9H10BrNO4S
Molecular Weight308.15 g/mol
Exact Mass306.95
IUPAC Name1-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
SMILESO=S(=O)(CBr)Nc1ccc2c(c1)OCCO2
InChIInChI=1S/C9H10BrNO4S/c10-6-16(12,13)11-7-1-2-8-9(5-7)15-4-3-14-8/h1-2,5,11H,3-4,6H2
InChIKeyZWAVKKMXTGPLDS-UHFFFAOYSA-N
XLogP1.55
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.15
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide
CID 60640203
3-amino-N-(2,3-dihydro-1,4-benzodioxin-6-yl)propane-1-sulfonamide
CID 54944704
1-chloro-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methanesulfonamide
CID 55246773
N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
CID 2788662
3-amino-N-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)propane-1-sulfonamide
CID 54944928
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 3586341
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-(2-nitrophenyl)methanesulfonamide
CID 3751776
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide
CID 1296568
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-ethylbenzenesulfonamide
CID 7516335
7-(dimethylsulfamoylamino)-3,4-dihydro-2H-1,5-benzodioxepine
CID 110776719
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2,3-dihydro-1-benzofuran-5-sulfonamide
CID 51177885
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylthiophene-2-sulfonamide
CID 79912736

Frequently Asked Questions

What is the IUPAC name of 1-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide?
The IUPAC name of 1-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide (CID 83092877) is 1-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide.
What is the SMILES notation for 1-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide?
The canonical SMILES for 1-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide is O=S(=O)(CBr)Nc1ccc2c(c1)OCCO2.
What is the InChIKey of 1-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide?
The InChIKey is ZWAVKKMXTGPLDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10BrNO4S/c10-6-16(12,13)11-7-1-2-8-9(5-7)15-4-3-14-8/h1-2,5,11H,3-4,6H2.
What are the key properties of 1-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide?
1-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide has a molecular weight of 308.15 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide is sourced from PubChem (CID 83092877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).