5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide

C15H14BrF2NO3S — CID 55352646

IUPAC5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C15H14BrF2NO3S/c1-9(12-5-4-11(17)8-13(12)18)19-23(20,21)15-7-10(16)3-6-14(15)22-2/h3-9,19H,1-2H3
InChIKeyCMMZGTAABMEIFP-UHFFFAOYSA-N
MW406.25 g/mol
LogP3.78
Rot. Bonds5

About 5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide

5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 55352646) has the molecular formula C15H14BrF2NO3S and a molecular weight of 406.25 g/mol. Its IUPAC name is 5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide
PubChem CID55352646
Molecular FormulaC15H14BrF2NO3S
Molecular Weight406.25 g/mol
Exact Mass404.98
IUPAC Name5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NC(C)c1ccc(F)cc1F
InChIInChI=1S/C15H14BrF2NO3S/c1-9(12-5-4-11(17)8-13(12)18)19-23(20,21)15-7-10(16)3-6-14(15)22-2/h3-9,19H,1-2H3
InChIKeyCMMZGTAABMEIFP-UHFFFAOYSA-N
XLogP3.78
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.25
LogP ≤ 53.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 78665680
2,4-dibromo-N-[1-(2,4-difluorophenyl)ethyl]benzenesulfonamide
CID 55907244
N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 43874274
5-bromo-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzenesulfonamide
CID 24511478
5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 133199241
5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 113318211
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 28560633
5-bromo-N-[(1R)-1-(furan-2-yl)ethyl]-2-methoxybenzenesulfonamide
CID 8817696
5-bromo-2-methoxy-N-[1-(5-methylfuran-2-yl)ethyl]benzenesulfonamide
CID 60652261
N-[1-(2,4-difluorophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 51169578
2,4-difluoro-N-[1-(3-fluoro-4-methoxyphenyl)ethyl]benzenesulfonamide
CID 18097044
5-bromo-N-[(1R)-1-(2,5-dimethoxyphenyl)ethyl]-2-methylbenzenesulfonamide
CID 9190490

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide (CID 55352646) is 5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NC(C)c1ccc(F)cc1F.
What is the InChIKey of 5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is CMMZGTAABMEIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrF2NO3S/c1-9(12-5-4-11(17)8-13(12)18)19-23(20,21)15-7-10(16)3-6-14(15)22-2/h3-9,19H,1-2H3.
What are the key properties of 5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide?
5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 406.25 g/mol, XLogP of 3.78, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 55352646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).