3-[(4-bromophenyl)sulfonylamino]-N-(2-fluoro-4-methylphenyl)propanamide

C16H16BrFN2O3S — CID 26687643

IUPAC3-[(4-bromophenyl)sulfonylamino]-N-(2-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C16H16BrFN2O3S/c1-11-2-7-15(14(18)10-11)20-16(21)8-9-19-24(22,23)13-5-3-12(17)4-6-13/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyBCJYLPXAZZNLTH-UHFFFAOYSA-N
MW415.28 g/mol
LogP3.20
Rot. Bonds6

About 3-[(4-bromophenyl)sulfonylamino]-N-(2-fluoro-4-methylphenyl)propanamide

3-[(4-bromophenyl)sulfonylamino]-N-(2-fluoro-4-methylphenyl)propanamide (PubChem CID 26687643) has the molecular formula C16H16BrFN2O3S and a molecular weight of 415.28 g/mol. Its IUPAC name is 3-[(4-bromophenyl)sulfonylamino]-N-(2-fluoro-4-methylphenyl)propanamide.

Molecular Properties

Compound Name3-[(4-bromophenyl)sulfonylamino]-N-(2-fluoro-4-methylphenyl)propanamide
PubChem CID26687643
Molecular FormulaC16H16BrFN2O3S
Molecular Weight415.28 g/mol
Exact Mass414.00
IUPAC Name3-[(4-bromophenyl)sulfonylamino]-N-(2-fluoro-4-methylphenyl)propanamide
SMILESCc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)c(F)c1
InChIInChI=1S/C16H16BrFN2O3S/c1-11-2-7-15(14(18)10-11)20-16(21)8-9-19-24(22,23)13-5-3-12(17)4-6-13/h2-7,10,19H,8-9H2,1H3,(H,20,21)
InChIKeyBCJYLPXAZZNLTH-UHFFFAOYSA-N
XLogP3.20
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.28
LogP ≤ 53.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dimethylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 4986521
N-(4-bromo-2-methylphenyl)-3-[(4-chlorophenyl)sulfonylamino]propanamide
CID 17225649
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2-hydroxy-4-methylphenyl)propanamide
CID 24540770
3-[(3,4-difluorophenyl)sulfonylamino]-N-(2,5-dimethylphenyl)propanamide
CID 26500090
3-[(4-bromophenyl)sulfonylamino]-N-(2,4,5-trichlorophenyl)propanamide
CID 17192350
3-[(4-ethoxyphenyl)sulfonylamino]-N-(2-fluoro-5-methylphenyl)propanamide
CID 26717747
3-[(4-bromophenyl)sulfonylamino]-N-(2-methyl-5-nitrophenyl)propanamide
CID 17192374
N-(2,4-difluorophenyl)-2-[(4-methylphenyl)sulfonylamino]acetamide
CID 893384
3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
CID 2576569
N-(2-methylphenyl)-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 17154113
3-[(4-fluorophenyl)sulfonylamino]-N-(4-methylphenyl)propanamide
CID 9452229
3-[(4-bromophenyl)sulfonylamino]-N-(4-methylsulfanylphenyl)propanamide
CID 42369215

Frequently Asked Questions

What is the IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(2-fluoro-4-methylphenyl)propanamide?
The IUPAC name of 3-[(4-bromophenyl)sulfonylamino]-N-(2-fluoro-4-methylphenyl)propanamide (CID 26687643) is 3-[(4-bromophenyl)sulfonylamino]-N-(2-fluoro-4-methylphenyl)propanamide.
What is the SMILES notation for 3-[(4-bromophenyl)sulfonylamino]-N-(2-fluoro-4-methylphenyl)propanamide?
The canonical SMILES for 3-[(4-bromophenyl)sulfonylamino]-N-(2-fluoro-4-methylphenyl)propanamide is Cc1ccc(NC(=O)CCNS(=O)(=O)c2ccc(Br)cc2)c(F)c1.
What is the InChIKey of 3-[(4-bromophenyl)sulfonylamino]-N-(2-fluoro-4-methylphenyl)propanamide?
The InChIKey is BCJYLPXAZZNLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16BrFN2O3S/c1-11-2-7-15(14(18)10-11)20-16(21)8-9-19-24(22,23)13-5-3-12(17)4-6-13/h2-7,10,19H,8-9H2,1H3,(H,20,21).
What are the key properties of 3-[(4-bromophenyl)sulfonylamino]-N-(2-fluoro-4-methylphenyl)propanamide?
3-[(4-bromophenyl)sulfonylamino]-N-(2-fluoro-4-methylphenyl)propanamide has a molecular weight of 415.28 g/mol, XLogP of 3.20, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-bromophenyl)sulfonylamino]-N-(2-fluoro-4-methylphenyl)propanamide is sourced from PubChem (CID 26687643), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).