6-bromo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide

C15H11BrF3NO4S — CID 60605154

IUPAC6-bromo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cc2c(cc1Br)OCCO2
InChIInChI=1S/C15H11BrF3NO4S/c16-11-7-12-13(24-5-4-23-12)8-14(11)25(21,22)20-10-3-1-2-9(6-10)15(17,18)19/h1-3,6-8,20H,4-5H2
InChIKeyNUBCDEFFEROLKP-UHFFFAOYSA-N
MW438.22 g/mol
LogP4.04
Rot. Bonds3

About 6-bromo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide

6-bromo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide (PubChem CID 60605154) has the molecular formula C15H11BrF3NO4S and a molecular weight of 438.22 g/mol. Its IUPAC name is 6-bromo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide.

Molecular Properties

Compound Name6-bromo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
PubChem CID60605154
Molecular FormulaC15H11BrF3NO4S
Molecular Weight438.22 g/mol
Exact Mass436.95
IUPAC Name6-bromo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
SMILESO=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cc2c(cc1Br)OCCO2
InChIInChI=1S/C15H11BrF3NO4S/c16-11-7-12-13(24-5-4-23-12)8-14(11)25(21,22)20-10-3-1-2-9(6-10)15(17,18)19/h1-3,6-8,20H,4-5H2
InChIKeyNUBCDEFFEROLKP-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

Analyze 6-bromo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

6-bromo-N-(3-iodophenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 60605016
1-[3-(2,3-dihydro-1,4-benzodioxin-6-ylsulfamoyl)-4-methylphenyl]-3-[3-(trifluoromethyl)phenyl]urea
CID 90102064
6-bromo-N-(4-chlorophenyl)-2,3-dihydro-1,4-benzodioxine-7-sulfonamide
CID 48927193
2-fluoro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 5088355
2,3-dichloro-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 2107587
N-(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)-4-(trifluoromethyl)benzenesulfonamide
CID 26964948
2-bromo-N-(2,3-dihydro-1,4-benzodioxin-6-yl)benzenesulfonamide
CID 3586341
N-[3-(trifluoromethyl)phenyl]naphthalene-1-sulfonamide
CID 3814100
N-(3-fluorophenyl)-7-methyl-2,3-dihydro-1,4-benzodioxine-6-sulfonamide
CID 110758953
3,5-ditert-butyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 4546210
2-bromo-N-(3-tert-butylphenyl)-4-methylbenzenesulfonamide
CID 90068343
2-methoxy-4,5-dimethyl-N-[3-(trifluoromethyl)phenyl]benzenesulfonamide
CID 113098664

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide?
The IUPAC name of 6-bromo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide (CID 60605154) is 6-bromo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide.
What is the SMILES notation for 6-bromo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide?
The canonical SMILES for 6-bromo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide is O=S(=O)(Nc1cccc(C(F)(F)F)c1)c1cc2c(cc1Br)OCCO2.
What is the InChIKey of 6-bromo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide?
The InChIKey is NUBCDEFFEROLKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrF3NO4S/c16-11-7-12-13(24-5-4-23-12)8-14(11)25(21,22)20-10-3-1-2-9(6-10)15(17,18)19/h1-3,6-8,20H,4-5H2.
What are the key properties of 6-bromo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide?
6-bromo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide 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 6-bromo-N-[3-(trifluoromethyl)phenyl]-2,3-dihydro-1,4-benzodioxine-7-sulfonamide is sourced from PubChem (CID 60605154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).