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

C15H15BrFNO3S — CID 78665680

IUPAC5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C15H15BrFNO3S/c1-10(11-3-6-13(17)7-4-11)18-22(19,20)15-9-12(16)5-8-14(15)21-2/h3-10,18H,1-2H3
InChIKeySXSIPDPBUDBJFM-UHFFFAOYSA-N
MW388.26 g/mol
LogP3.64
Rot. Bonds5

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

5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide (PubChem CID 78665680) has the molecular formula C15H15BrFNO3S and a molecular weight of 388.26 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
PubChem CID78665680
Molecular FormulaC15H15BrFNO3S
Molecular Weight388.26 g/mol
Exact Mass386.99
IUPAC Name5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NC(C)c1ccc(F)cc1
InChIInChI=1S/C15H15BrFNO3S/c1-10(11-3-6-13(17)7-4-11)18-22(19,20)15-9-12(16)5-8-14(15)21-2/h3-10,18H,1-2H3
InChIKeySXSIPDPBUDBJFM-UHFFFAOYSA-N
XLogP3.64
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.26
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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-[1-(2,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 55352646
N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 43874274
N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 43874188
N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 28560633
2,5-dimethoxy-N-[1-(4-methoxyphenyl)ethyl]benzenesulfonamide
CID 3852201
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
2-bromo-N-[(1R)-1-(4-bromophenyl)ethyl]-4-fluorobenzenesulfonamide
CID 107868985
N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-methylbenzenesulfonamide
CID 28958747
4-bromo-N-[(1S)-1-(4-fluorophenyl)ethyl]benzenesulfonamide
CID 7937746

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide (CID 78665680) is 5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NC(C)c1ccc(F)cc1.
What is the InChIKey of 5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide?
The InChIKey is SXSIPDPBUDBJFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15BrFNO3S/c1-10(11-3-6-13(17)7-4-11)18-22(19,20)15-9-12(16)5-8-14(15)21-2/h3-10,18H,1-2H3.
What are the key properties of 5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide?
5-bromo-N-[1-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide has a molecular weight of 388.26 g/mol, XLogP of 3.64, 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-(4-fluorophenyl)ethyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 78665680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).