3-bromo-4-[(3,4-difluorophenyl)methoxy]benzenesulfonamide

C13H10BrF2NO3S — CID 82916878

IUPAC3-bromo-4-[(3,4-difluorophenyl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2ccc(F)c(F)c2)c(Br)c1
InChIInChI=1S/C13H10BrF2NO3S/c14-10-6-9(21(17,18)19)2-4-13(10)20-7-8-1-3-11(15)12(16)5-8/h1-6H,7H2,(H2,17,18,19)
InChIKeyBBNUCAOFENYEDR-UHFFFAOYSA-N
MW378.19 g/mol
LogP2.95
Rot. Bonds4

About 3-bromo-4-[(3,4-difluorophenyl)methoxy]benzenesulfonamide

3-bromo-4-[(3,4-difluorophenyl)methoxy]benzenesulfonamide (PubChem CID 82916878) has the molecular formula C13H10BrF2NO3S and a molecular weight of 378.19 g/mol. Its IUPAC name is 3-bromo-4-[(3,4-difluorophenyl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-[(3,4-difluorophenyl)methoxy]benzenesulfonamide
PubChem CID82916878
Molecular FormulaC13H10BrF2NO3S
Molecular Weight378.19 g/mol
Exact Mass376.95
IUPAC Name3-bromo-4-[(3,4-difluorophenyl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2ccc(F)c(F)c2)c(Br)c1
InChIInChI=1S/C13H10BrF2NO3S/c14-10-6-9(21(17,18)19)2-4-13(10)20-7-8-1-3-11(15)12(16)5-8/h1-6H,7H2,(H2,17,18,19)
InChIKeyBBNUCAOFENYEDR-UHFFFAOYSA-N
XLogP2.95
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.19
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-[(3-chlorophenyl)methoxy]benzenesulfonamide
CID 43342289
4-[(4-bromophenyl)methoxy]-3-fluorobenzenesulfonamide
CID 43342384
5-bromo-2-[(3,4-difluorophenyl)methoxy]aniline
CID 82918529
3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 43342382
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-fluorobenzene
CID 55219072
2-bromo-1-[(3-bromo-4-fluorophenyl)methoxy]-4-(chloromethyl)benzene
CID 63534718
2-(2-bromo-4-sulfamoylphenoxy)acetic acid
CID 43164345
[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]methanamine
CID 107879157
4-bromo-1-chloro-2-[(3,4-difluorophenyl)methoxy]benzene
CID 82918187
2-[3-bromo-4-[(4-chloro-3-fluorophenyl)methoxy]phenyl]ethanamine
CID 107885526
3-bromo-4-(3-phenylpropoxy)benzenesulfonamide
CID 43342283
3-bromo-4-nonoxybenzenesulfonamide
CID 43342292

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(3,4-difluorophenyl)methoxy]benzenesulfonamide?
The IUPAC name of 3-bromo-4-[(3,4-difluorophenyl)methoxy]benzenesulfonamide (CID 82916878) is 3-bromo-4-[(3,4-difluorophenyl)methoxy]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-[(3,4-difluorophenyl)methoxy]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-[(3,4-difluorophenyl)methoxy]benzenesulfonamide is NS(=O)(=O)c1ccc(OCc2ccc(F)c(F)c2)c(Br)c1.
What is the InChIKey of 3-bromo-4-[(3,4-difluorophenyl)methoxy]benzenesulfonamide?
The InChIKey is BBNUCAOFENYEDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrF2NO3S/c14-10-6-9(21(17,18)19)2-4-13(10)20-7-8-1-3-11(15)12(16)5-8/h1-6H,7H2,(H2,17,18,19).
What are the key properties of 3-bromo-4-[(3,4-difluorophenyl)methoxy]benzenesulfonamide?
3-bromo-4-[(3,4-difluorophenyl)methoxy]benzenesulfonamide has a molecular weight of 378.19 g/mol, XLogP of 2.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-4-[(3,4-difluorophenyl)methoxy]benzenesulfonamide is sourced from PubChem (CID 82916878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).