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

C15H11BrF3NO4S — CID 26964948

IUPACN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc2c(cc1Br)OCCO2)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11BrF3NO4S/c16-11-7-13-14(24-6-5-23-13)8-12(11)20-25(21,22)10-3-1-9(2-4-10)15(17,18)19/h1-4,7-8,20H,5-6H2
InChIKeyDSUDVBWFQGZZPY-UHFFFAOYSA-N
MW438.22 g/mol
LogP4.04
Rot. Bonds3

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

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(trifluoromethyl)benzenesulfonamide (PubChem CID 26964948) has the molecular formula C15H11BrF3NO4S and a molecular weight of 438.22 g/mol. Its IUPAC name is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(trifluoromethyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(trifluoromethyl)benzenesulfonamide
PubChem CID26964948
Molecular FormulaC15H11BrF3NO4S
Molecular Weight438.22 g/mol
Exact Mass436.95
IUPAC NameN-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(trifluoromethyl)benzenesulfonamide
SMILESO=S(=O)(Nc1cc2c(cc1Br)OCCO2)c1ccc(C(F)(F)F)cc1
InChIInChI=1S/C15H11BrF3NO4S/c16-11-7-13-14(24-6-5-23-13)8-12(11)20-25(21,22)10-3-1-9(2-4-10)15(17,18)19/h1-4,7-8,20H,5-6H2
InChIKeyDSUDVBWFQGZZPY-UHFFFAOYSA-N
XLogP4.04
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.22
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)benzenesulfonamide
CID 17477626
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26964949
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-chloro-2-(trifluoromethyl)benzenesulfonamide
CID 2474429
N-[2-bromo-4-(trifluoromethyl)phenyl]-4-methylbenzenesulfonamide
CID 68679977
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-bromo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 60605154
4-fluoro-N-(7-methyl-2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 110778052
N-[2-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 1148581
N-[2-bromo-5-(trifluoromethyl)phenyl]-4-methoxybenzenesulfonamide
CID 3800442
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(tert-butylsulfamoyl)benzamide
CID 29472703

Frequently Asked Questions

What is the IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(trifluoromethyl)benzenesulfonamide?
The IUPAC name of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(trifluoromethyl)benzenesulfonamide (CID 26964948) is N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(trifluoromethyl)benzenesulfonamide.
What is the SMILES notation for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(trifluoromethyl)benzenesulfonamide?
The canonical SMILES for N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(trifluoromethyl)benzenesulfonamide is O=S(=O)(Nc1cc2c(cc1Br)OCCO2)c1ccc(C(F)(F)F)cc1.
What is the InChIKey of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(trifluoromethyl)benzenesulfonamide?
The InChIKey is DSUDVBWFQGZZPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3NO4S/c16-11-7-13-14(24-6-5-23-13)8-12(11)20-25(21,22)10-3-1-9(2-4-10)15(17,18)19/h1-4,7-8,20H,5-6H2.
What are the key properties of N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(trifluoromethyl)benzenesulfonamide?
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(trifluoromethyl)benzenesulfonamide has a molecular weight of 438.22 g/mol, XLogP of 4.04, 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)-4-(trifluoromethyl)benzenesulfonamide is sourced from PubChem (CID 26964948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).