3-bromo-4-[(3-chlorophenyl)methoxy]benzenesulfonamide

C13H11BrClNO3S — CID 43342289

IUPAC3-bromo-4-[(3-chlorophenyl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2cccc(Cl)c2)c(Br)c1
InChIInChI=1S/C13H11BrClNO3S/c14-12-7-11(20(16,17)18)4-5-13(12)19-8-9-2-1-3-10(15)6-9/h1-7H,8H2,(H2,16,17,18)
InChIKeyTVISYYHZDAARTA-UHFFFAOYSA-N
MW376.66 g/mol
LogP3.33
Rot. Bonds4

About 3-bromo-4-[(3-chlorophenyl)methoxy]benzenesulfonamide

3-bromo-4-[(3-chlorophenyl)methoxy]benzenesulfonamide (PubChem CID 43342289) has the molecular formula C13H11BrClNO3S and a molecular weight of 376.66 g/mol. Its IUPAC name is 3-bromo-4-[(3-chlorophenyl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name3-bromo-4-[(3-chlorophenyl)methoxy]benzenesulfonamide
PubChem CID43342289
Molecular FormulaC13H11BrClNO3S
Molecular Weight376.66 g/mol
Exact Mass374.93
IUPAC Name3-bromo-4-[(3-chlorophenyl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(OCc2cccc(Cl)c2)c(Br)c1
InChIInChI=1S/C13H11BrClNO3S/c14-12-7-11(20(16,17)18)4-5-13(12)19-8-9-2-1-3-10(15)6-9/h1-7H,8H2,(H2,16,17,18)
InChIKeyTVISYYHZDAARTA-UHFFFAOYSA-N
XLogP3.33
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.66
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-bromo-4-[(3,4-difluorophenyl)methoxy]benzenesulfonamide
CID 82916878
2-bromo-1-[(3-chlorophenyl)methoxy]-4-fluorobenzene
CID 28548362
4-[(3-chlorophenyl)methoxy]-2,3-difluorobenzenesulfonamide
CID 63036597
3-bromo-4-(3-phenylpropoxy)benzenesulfonamide
CID 43342283
3-bromo-4-[3-(methoxymethyl)phenoxy]benzenesulfonamide
CID 63985144
4-[(3-chlorophenyl)methoxy]-2,5-dimethylbenzenesulfonamide
CID 43342532
3-fluoro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 43342382
N-[[3-bromo-4-[(3-chlorophenyl)methoxy]phenyl]methyl]-4-chloroaniline
CID 126183458
5-chloro-2-[(3-chlorophenyl)methoxy]benzoate
CID 7023057
3-chloro-4-[(3-chlorophenyl)methoxy]benzoate
CID 8707027
2-bromo-4-[(3-chlorophenyl)methoxy]-1-(trifluoromethoxy)benzene
CID 102714778
[5-bromo-2-[(3-chlorophenyl)methoxy]phenyl]methylidenehydrazine
CID 168530433

Frequently Asked Questions

What is the IUPAC name of 3-bromo-4-[(3-chlorophenyl)methoxy]benzenesulfonamide?
The IUPAC name of 3-bromo-4-[(3-chlorophenyl)methoxy]benzenesulfonamide (CID 43342289) is 3-bromo-4-[(3-chlorophenyl)methoxy]benzenesulfonamide.
What is the SMILES notation for 3-bromo-4-[(3-chlorophenyl)methoxy]benzenesulfonamide?
The canonical SMILES for 3-bromo-4-[(3-chlorophenyl)methoxy]benzenesulfonamide is NS(=O)(=O)c1ccc(OCc2cccc(Cl)c2)c(Br)c1.
What is the InChIKey of 3-bromo-4-[(3-chlorophenyl)methoxy]benzenesulfonamide?
The InChIKey is TVISYYHZDAARTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11BrClNO3S/c14-12-7-11(20(16,17)18)4-5-13(12)19-8-9-2-1-3-10(15)6-9/h1-7H,8H2,(H2,16,17,18).
What are the key properties of 3-bromo-4-[(3-chlorophenyl)methoxy]benzenesulfonamide?
3-bromo-4-[(3-chlorophenyl)methoxy]benzenesulfonamide has a molecular weight of 376.66 g/mol, XLogP of 3.33, 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-chlorophenyl)methoxy]benzenesulfonamide is sourced from PubChem (CID 43342289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).