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

C17H19BrFNO3S — CID 24511478

IUPAC5-bromo-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C17H19BrFNO3S/c1-11(2)17(12-4-7-14(19)8-5-12)20-24(21,22)16-10-13(18)6-9-15(16)23-3/h4-11,17,20H,1-3H3
InChIKeyMYPJTMCFJCRZAZ-UHFFFAOYSA-N
MW416.31 g/mol
LogP4.27
Rot. Bonds6

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

5-bromo-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzenesulfonamide (PubChem CID 24511478) has the molecular formula C17H19BrFNO3S and a molecular weight of 416.31 g/mol. Its IUPAC name is 5-bromo-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzenesulfonamide.

Molecular Properties

Compound Name5-bromo-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzenesulfonamide
PubChem CID24511478
Molecular FormulaC17H19BrFNO3S
Molecular Weight416.31 g/mol
Exact Mass415.03
IUPAC Name5-bromo-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzenesulfonamide
SMILESCOc1ccc(Br)cc1S(=O)(=O)NC(c1ccc(F)cc1)C(C)C
InChIInChI=1S/C17H19BrFNO3S/c1-11(2)17(12-4-7-14(19)8-5-12)20-24(21,22)16-10-13(18)6-9-15(16)23-3/h4-11,17,20H,1-3H3
InChIKeyMYPJTMCFJCRZAZ-UHFFFAOYSA-N
XLogP4.27
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.31
LogP ≤ 54.27
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
5-bromo-N-[1-(2,4-difluorophenyl)ethyl]-2-methoxybenzenesulfonamide
CID 55352646
5-bromo-N-[1-(4-tert-butylphenyl)ethyl]-2-methoxybenzenesulfonamide
CID 133199241
N-[1-(3-bromophenyl)ethyl]-5-fluoro-2-methoxybenzenesulfonamide
CID 43874274
5-bromo-N-[1-(3,4-dimethoxyphenyl)propyl]-2-methoxybenzenesulfonamide
CID 133199778
5-bromo-N-(4-hydroxybutan-2-yl)-2-methoxybenzenesulfonamide
CID 113318211
5-bromo-2-methoxy-N-[(2S)-pentan-2-yl]benzenesulfonamide
CID 92510421
5-bromo-N-[(1S)-1-cyclopropylethyl]-2-methoxybenzenesulfonamide
CID 8817191
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-N-(3,5-difluorophenyl)-2-methoxybenzenesulfonamide
CID 35940097
N-[1-(4-bromophenyl)ethyl]-2-methoxy-5-methylbenzenesulfonamide
CID 43874188

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzenesulfonamide?
The IUPAC name of 5-bromo-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzenesulfonamide (CID 24511478) is 5-bromo-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzenesulfonamide.
What is the SMILES notation for 5-bromo-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzenesulfonamide?
The canonical SMILES for 5-bromo-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzenesulfonamide is COc1ccc(Br)cc1S(=O)(=O)NC(c1ccc(F)cc1)C(C)C.
What is the InChIKey of 5-bromo-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzenesulfonamide?
The InChIKey is MYPJTMCFJCRZAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19BrFNO3S/c1-11(2)17(12-4-7-14(19)8-5-12)20-24(21,22)16-10-13(18)6-9-15(16)23-3/h4-11,17,20H,1-3H3.
What are the key properties of 5-bromo-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzenesulfonamide?
5-bromo-N-[1-(4-fluorophenyl)-2-methylpropyl]-2-methoxybenzenesulfonamide has a molecular weight of 416.31 g/mol, XLogP of 4.27, 6 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)-2-methylpropyl]-2-methoxybenzenesulfonamide is sourced from PubChem (CID 24511478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).