3-(benzenesulfonamido)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide

C17H18BrFN2O3S — CID 55580381

IUPAC3-(benzenesulfonamido)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1cc(Br)ccc1F)C(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18BrFN2O3S/c1-21(12-13-11-14(18)7-8-16(13)19)17(22)9-10-20-25(23,24)15-5-3-2-4-6-15/h2-8,11,20H,9-10,12H2,1H3
InChIKeyJHFOFAFIBFMAKX-UHFFFAOYSA-N
MW429.31 g/mol
LogP2.92
Rot. Bonds7

About 3-(benzenesulfonamido)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide

3-(benzenesulfonamido)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide (PubChem CID 55580381) has the molecular formula C17H18BrFN2O3S and a molecular weight of 429.31 g/mol. Its IUPAC name is 3-(benzenesulfonamido)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide.

Molecular Properties

Compound Name3-(benzenesulfonamido)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide
PubChem CID55580381
Molecular FormulaC17H18BrFN2O3S
Molecular Weight429.31 g/mol
Exact Mass428.02
IUPAC Name3-(benzenesulfonamido)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide
SMILESCN(Cc1cc(Br)ccc1F)C(=O)CCNS(=O)(=O)c1ccccc1
InChIInChI=1S/C17H18BrFN2O3S/c1-21(12-13-11-14(18)7-8-16(13)19)17(22)9-10-20-25(23,24)15-5-3-2-4-6-15/h2-8,11,20H,9-10,12H2,1H3
InChIKeyJHFOFAFIBFMAKX-UHFFFAOYSA-N
XLogP2.92
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.31
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-benzyl-3-[(4-bromophenyl)sulfonylamino]-N-methylpropanamide
CID 17192390
3-amino-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide;hydrochloride
CID 119312630
3-[(4-bromophenyl)sulfonylamino]-N-methyl-N-[[2-(trifluoromethoxy)phenyl]methyl]propanamide
CID 38075553
N-[(5-bromo-2-fluorophenyl)methyl]-N-methyl-4-(methylamino)butanamide
CID 115155762
N-[(5-bromo-2-fluorophenyl)methyl]-3-(2-methoxyethylsulfamoyl)-N-methylbenzamide
CID 55579772
N-benzyl-3-[(2,5-dibromophenyl)sulfonylamino]-N-methylpropanamide
CID 55334609
3-[(3,4-dimethylphenyl)sulfonylamino]-N-methyl-N-[(2-methylphenyl)methyl]propanamide
CID 9368930
N-[(2-chloro-6-fluorophenyl)methyl]-3-[(3-chlorophenyl)sulfonylamino]-N-methylpropanamide
CID 31182434
3-(benzenesulfonamido)-N-[[4-(difluoromethoxy)phenyl]methyl]-N-methylpropanamide
CID 31238693
3-[(3-chlorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]-N-methylpropanamide
CID 51162789
3-[[(5-bromo-2-fluorophenyl)methyl-methylcarbamoyl]amino]propanoic acid
CID 122019134
N-[(3-chlorophenyl)methyl]-3-[(3,4-difluorophenyl)sulfonylamino]-N-methylpropanamide
CID 55348829

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonamido)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide?
The IUPAC name of 3-(benzenesulfonamido)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide (CID 55580381) is 3-(benzenesulfonamido)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide.
What is the SMILES notation for 3-(benzenesulfonamido)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide?
The canonical SMILES for 3-(benzenesulfonamido)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide is CN(Cc1cc(Br)ccc1F)C(=O)CCNS(=O)(=O)c1ccccc1.
What is the InChIKey of 3-(benzenesulfonamido)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide?
The InChIKey is JHFOFAFIBFMAKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18BrFN2O3S/c1-21(12-13-11-14(18)7-8-16(13)19)17(22)9-10-20-25(23,24)15-5-3-2-4-6-15/h2-8,11,20H,9-10,12H2,1H3.
What are the key properties of 3-(benzenesulfonamido)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide?
3-(benzenesulfonamido)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide has a molecular weight of 429.31 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonamido)-N-[(5-bromo-2-fluorophenyl)methyl]-N-methylpropanamide is sourced from PubChem (CID 55580381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).