5-bromo-2-[(3,4-dichlorophenyl)methoxy]benzenesulfonamide

C13H10BrCl2NO3S — CID 62103693

IUPAC5-bromo-2-[(3,4-dichlorophenyl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10BrCl2NO3S/c14-9-2-4-12(13(6-9)21(17,18)19)20-7-8-1-3-10(15)11(16)5-8/h1-6H,7H2,(H2,17,18,19)
InChIKeyCWDZBWJLHRKWQX-UHFFFAOYSA-N
MW411.10 g/mol
LogP3.98
Rot. Bonds4

About 5-bromo-2-[(3,4-dichlorophenyl)methoxy]benzenesulfonamide

5-bromo-2-[(3,4-dichlorophenyl)methoxy]benzenesulfonamide (PubChem CID 62103693) has the molecular formula C13H10BrCl2NO3S and a molecular weight of 411.10 g/mol. Its IUPAC name is 5-bromo-2-[(3,4-dichlorophenyl)methoxy]benzenesulfonamide.

Molecular Properties

Compound Name5-bromo-2-[(3,4-dichlorophenyl)methoxy]benzenesulfonamide
PubChem CID62103693
Molecular FormulaC13H10BrCl2NO3S
Molecular Weight411.10 g/mol
Exact Mass408.89
IUPAC Name5-bromo-2-[(3,4-dichlorophenyl)methoxy]benzenesulfonamide
SMILESNS(=O)(=O)c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1
InChIInChI=1S/C13H10BrCl2NO3S/c14-9-2-4-12(13(6-9)21(17,18)19)20-7-8-1-3-10(15)11(16)5-8/h1-6H,7H2,(H2,17,18,19)
InChIKeyCWDZBWJLHRKWQX-UHFFFAOYSA-N
XLogP3.98
TPSA69.39 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.10
LogP ≤ 53.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-[(3-cyanophenyl)methoxy]benzenesulfonamide
CID 82916267
4-[(3,4-dichlorophenyl)methoxy]-3-nitrobenzenesulfonamide
CID 52554320
5-bromo-2-(3-fluoropropoxy)benzenesulfonamide
CID 81113386
5-bromo-2-(2,2,2-trifluoroethoxy)benzenesulfonamide
CID 62104800
2-[(4-chlorophenyl)methoxy]-5-fluorobenzenesulfonamide
CID 62105360
3-bromo-4-[(3,4-dichlorophenyl)methoxy]benzohydrazide
CID 91683383
5-bromo-2-(2-bromoprop-2-enoxy)benzenesulfonamide
CID 82914474
5-bromo-2-but-3-ynoxybenzenesulfonamide
CID 82915032
5-bromo-2-[2-[(2-methylpropan-2-yl)oxy]ethoxy]benzenesulfonamide
CID 112590347
1-chloro-4-[(2,4-dibromophenoxy)methyl]-2-nitrobenzene
CID 64719307
2-[(5-bromo-3-pyridinyl)methoxy]-5-fluorobenzenesulfonamide
CID 113454566
(E)-3-[3-bromo-4-[(3,4-dichlorophenyl)methoxy]phenyl]prop-2-enamide
CID 91684801

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-[(3,4-dichlorophenyl)methoxy]benzenesulfonamide?
The IUPAC name of 5-bromo-2-[(3,4-dichlorophenyl)methoxy]benzenesulfonamide (CID 62103693) is 5-bromo-2-[(3,4-dichlorophenyl)methoxy]benzenesulfonamide.
What is the SMILES notation for 5-bromo-2-[(3,4-dichlorophenyl)methoxy]benzenesulfonamide?
The canonical SMILES for 5-bromo-2-[(3,4-dichlorophenyl)methoxy]benzenesulfonamide is NS(=O)(=O)c1cc(Br)ccc1OCc1ccc(Cl)c(Cl)c1.
What is the InChIKey of 5-bromo-2-[(3,4-dichlorophenyl)methoxy]benzenesulfonamide?
The InChIKey is CWDZBWJLHRKWQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO3S/c14-9-2-4-12(13(6-9)21(17,18)19)20-7-8-1-3-10(15)11(16)5-8/h1-6H,7H2,(H2,17,18,19).
What are the key properties of 5-bromo-2-[(3,4-dichlorophenyl)methoxy]benzenesulfonamide?
5-bromo-2-[(3,4-dichlorophenyl)methoxy]benzenesulfonamide has a molecular weight of 411.10 g/mol, XLogP of 3.98, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-[(3,4-dichlorophenyl)methoxy]benzenesulfonamide is sourced from PubChem (CID 62103693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).