4-[(2-bromophenyl)methoxy]-2,5-dichlorobenzenesulfonamide

C13H10BrCl2NO3S — CID 43342571

IUPAC4-[(2-bromophenyl)methoxy]-2,5-dichlorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(OCc2ccccc2Br)cc1Cl
InChIInChI=1S/C13H10BrCl2NO3S/c14-9-4-2-1-3-8(9)7-20-12-5-11(16)13(6-10(12)15)21(17,18)19/h1-6H,7H2,(H2,17,18,19)
InChIKeyNAORJROBMSBLQD-UHFFFAOYSA-N
MW411.10 g/mol
LogP3.98
Rot. Bonds4

About 4-[(2-bromophenyl)methoxy]-2,5-dichlorobenzenesulfonamide

4-[(2-bromophenyl)methoxy]-2,5-dichlorobenzenesulfonamide (PubChem CID 43342571) has the molecular formula C13H10BrCl2NO3S and a molecular weight of 411.10 g/mol. Its IUPAC name is 4-[(2-bromophenyl)methoxy]-2,5-dichlorobenzenesulfonamide.

Molecular Properties

Compound Name4-[(2-bromophenyl)methoxy]-2,5-dichlorobenzenesulfonamide
PubChem CID43342571
Molecular FormulaC13H10BrCl2NO3S
Molecular Weight411.10 g/mol
Exact Mass408.89
IUPAC Name4-[(2-bromophenyl)methoxy]-2,5-dichlorobenzenesulfonamide
SMILESNS(=O)(=O)c1cc(Cl)c(OCc2ccccc2Br)cc1Cl
InChIInChI=1S/C13H10BrCl2NO3S/c14-9-4-2-1-3-8(9)7-20-12-5-11(16)13(6-10(12)15)21(17,18)19/h1-6H,7H2,(H2,17,18,19)
InChIKeyNAORJROBMSBLQD-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

2,5-dichloro-4-[(2-chlorophenyl)methoxy]benzenesulfonamide
CID 43342568
2,5-dichloro-4-[(3-fluorophenyl)methoxy]benzenesulfonamide
CID 43342560
1-[(2-bromophenyl)methoxy]-2-chloro-4-nitrobenzene
CID 54129190
2-[(2-bromophenyl)methoxy]-1-chloro-4-nitrobenzene
CID 63990985
3-bromo-4-[(2-bromophenyl)methoxy]aniline
CID 82827730
2,5-dichloro-4-(cyclopropylmethoxy)benzenesulfonamide
CID 43560597
3-(2,5-dichloro-4-sulfamoylphenoxy)propanoic acid
CID 43164622
1-[(2-bromophenyl)methoxy]-4-chloro-2-fluorobenzene
CID 146004192
2,5-dichloro-4-[(3-methylimidazol-4-yl)methoxy]benzenesulfonamide
CID 82914081
2,5-dichloro-4-[(4,5-dimethyl-1,3-thiazol-2-yl)methoxy]benzenesulfonamide
CID 82912914
2-[(2-bromophenyl)methoxy]aniline
CID 11208190
2,5-dichloro-4-[(1-ethylimidazol-2-yl)methoxy]benzenesulfonamide
CID 82912915

Frequently Asked Questions

What is the IUPAC name of 4-[(2-bromophenyl)methoxy]-2,5-dichlorobenzenesulfonamide?
The IUPAC name of 4-[(2-bromophenyl)methoxy]-2,5-dichlorobenzenesulfonamide (CID 43342571) is 4-[(2-bromophenyl)methoxy]-2,5-dichlorobenzenesulfonamide.
What is the SMILES notation for 4-[(2-bromophenyl)methoxy]-2,5-dichlorobenzenesulfonamide?
The canonical SMILES for 4-[(2-bromophenyl)methoxy]-2,5-dichlorobenzenesulfonamide is NS(=O)(=O)c1cc(Cl)c(OCc2ccccc2Br)cc1Cl.
What is the InChIKey of 4-[(2-bromophenyl)methoxy]-2,5-dichlorobenzenesulfonamide?
The InChIKey is NAORJROBMSBLQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10BrCl2NO3S/c14-9-4-2-1-3-8(9)7-20-12-5-11(16)13(6-10(12)15)21(17,18)19/h1-6H,7H2,(H2,17,18,19).
What are the key properties of 4-[(2-bromophenyl)methoxy]-2,5-dichlorobenzenesulfonamide?
4-[(2-bromophenyl)methoxy]-2,5-dichlorobenzenesulfonamide 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 4-[(2-bromophenyl)methoxy]-2,5-dichlorobenzenesulfonamide is sourced from PubChem (CID 43342571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).