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

C14H12BrNO4S — CID 3586341

IUPAC2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccccc1Br
InChIInChI=1S/C14H12BrNO4S/c15-11-3-1-2-4-14(11)21(17,18)16-10-5-6-12-13(9-10)20-8-7-19-12/h1-6,9,16H,7-8H2
InChIKeyRVVCFQANSGKCJF-UHFFFAOYSA-N
MW370.22 g/mol
LogP3.02
Rot. Bonds3

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

2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide (PubChem CID 3586341) has the molecular formula C14H12BrNO4S and a molecular weight of 370.22 g/mol. Its IUPAC name is 2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
PubChem CID3586341
Molecular FormulaC14H12BrNO4S
Molecular Weight370.22 g/mol
Exact Mass368.97
IUPAC Name2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccccc1Br
InChIInChI=1S/C14H12BrNO4S/c15-11-3-1-2-4-14(11)21(17,18)16-10-5-6-12-13(9-10)20-8-7-19-12/h1-6,9,16H,7-8H2
InChIKeyRVVCFQANSGKCJF-UHFFFAOYSA-N
XLogP3.02
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.22
LogP ≤ 53.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)thiophene-2-sulfonamide
CID 1296568
2-bromo-N-(3-oxo-1H-2-benzofuran-5-yl)benzenesulfonamide
CID 3264977
N-(1,3-benzodioxol-5-yl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758954
6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 48927193
6-bromo-N-(3-iodophenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 60605016
N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
CID 2788662
1-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)methanesulfonamide
CID 83092877
2-bromo-N-[3-(dimethylamino)-4-methylphenyl]benzenesulfonamide
CID 115379035
N-naphthalen-2-yl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 846619
5-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methylthiophene-2-sulfonamide
CID 79912736
2-bromo-N-(4-chloro-3-fluorophenyl)benzenesulfonamide
CID 47310409
6-bromo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 60605154

Frequently Asked Questions

What is the IUPAC name of 2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide?
The IUPAC name of 2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide (CID 3586341) is 2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide.
What is the SMILES notation for 2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide?
The canonical SMILES for 2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide is O=S(=O)(Nc1ccc2c(c1)OCCO2)c1ccccc1Br.
What is the InChIKey of 2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide?
The InChIKey is RVVCFQANSGKCJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4S/c15-11-3-1-2-4-14(11)21(17,18)16-10-5-6-12-13(9-10)20-8-7-19-12/h1-6,9,16H,7-8H2.
What are the key properties of 2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide?
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide has a molecular weight of 370.22 g/mol, XLogP of 3.02, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide is sourced from PubChem (CID 3586341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).