N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzenesulfonamide

C14H12BrNO4S — CID 17477626

IUPACN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc2c(cc1Br)OCCO2)c1ccccc1
InChIInChI=1S/C14H12BrNO4S/c15-11-8-13-14(20-7-6-19-13)9-12(11)16-21(17,18)10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2
InChIKeyHECVXNHADBOCKX-UHFFFAOYSA-N
MW370.22 g/mol
LogP3.02
Rot. Bonds3

About N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzenesulfonamide

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzenesulfonamide (PubChem CID 17477626) has the molecular formula C14H12BrNO4S and a molecular weight of 370.22 g/mol. Its IUPAC name is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzenesulfonamide
PubChem CID17477626
Molecular FormulaC14H12BrNO4S
Molecular Weight370.22 g/mol
Exact Mass368.97
IUPAC NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc2c(cc1Br)OCCO2)c1ccccc1
InChIInChI=1S/C14H12BrNO4S/c15-11-8-13-14(20-7-6-19-13)9-12(11)16-21(17,18)10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2
InChIKeyHECVXNHADBOCKX-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

N-(7-amino-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 43550629
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 26964948
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26964949
4-methyl-N-[6-[(4-methylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxin-7-yl]benzenesulfonamide
CID 70139059
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-2-oxochromene-6-sulfonamide
CID 30784509
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-methyl-3-nitrobenzenesulfonamide
CID 4824350
6-[(3-sulfamoylphenyl)sulfonylamino]-2,3-dihydro-1,4-benzodioxine-7-carboxylic acid
CID 18285616
N-(2-bromo-5-chloro-4-methylphenyl)benzenesulfonamide
CID 113443382
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-chloro-2-(trifluoromethyl)benzenesulfonamide
CID 2474429
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 3586341
4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 110778052
7-methyl-N-(2-methylphenyl)-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758925

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzenesulfonamide?
The IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzenesulfonamide (CID 17477626) is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzenesulfonamide.
What is the SMILES notation for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzenesulfonamide?
The canonical SMILES for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzenesulfonamide is O=S(=O)(Nc1cc2c(cc1Br)OCCO2)c1ccccc1.
What is the InChIKey of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzenesulfonamide?
The InChIKey is HECVXNHADBOCKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrNO4S/c15-11-8-13-14(20-7-6-19-13)9-12(11)16-21(17,18)10-4-2-1-3-5-10/h1-5,8-9,16H,6-7H2.
What are the key properties of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzenesulfonamide?
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-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 N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzenesulfonamide is sourced from PubChem (CID 17477626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).