N-(4-bromo-3-fluorophenyl)-2-methylsulfonylacetamide

C9H9BrFNO3S — CID 65429192

IUPACN-(4-bromo-3-fluorophenyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C9H9BrFNO3S/c1-16(14,15)5-9(13)12-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3,(H,12,13)
InChIKeyBALWRQKDQZMIIP-UHFFFAOYSA-N
MW310.14 g/mol
LogP1.57
Rot. Bonds3

About N-(4-bromo-3-fluorophenyl)-2-methylsulfonylacetamide

N-(4-bromo-3-fluorophenyl)-2-methylsulfonylacetamide (PubChem CID 65429192) has the molecular formula C9H9BrFNO3S and a molecular weight of 310.14 g/mol. Its IUPAC name is N-(4-bromo-3-fluorophenyl)-2-methylsulfonylacetamide.

Molecular Properties

Compound NameN-(4-bromo-3-fluorophenyl)-2-methylsulfonylacetamide
PubChem CID65429192
Molecular FormulaC9H9BrFNO3S
Molecular Weight310.14 g/mol
Exact Mass308.95
IUPAC NameN-(4-bromo-3-fluorophenyl)-2-methylsulfonylacetamide
SMILESCS(=O)(=O)CC(=O)Nc1ccc(Br)c(F)c1
InChIInChI=1S/C9H9BrFNO3S/c1-16(14,15)5-9(13)12-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3,(H,12,13)
InChIKeyBALWRQKDQZMIIP-UHFFFAOYSA-N
XLogP1.57
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.14
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(4-bromo-3-fluorophenyl)-2-(4-methylsulfonylphenyl)acetamide
CID 71283763
N-(4-bromo-3-fluorophenyl)-4-methylpentanamide
CID 65437614
N-(4-bromo-3-fluorophenyl)octanamide
CID 65429012
N-(4-bromo-3-fluorophenyl)-2-(prop-2-enylamino)acetamide
CID 79279349
N-(4-aminophenyl)-2-methylsulfonylacetamide
CID 61025052
N-(4-bromo-3-fluorophenyl)pent-4-enamide
CID 65429936
N-(4-bromo-3-fluorophenyl)-5-chloropentanamide
CID 65436710
1-(4-bromo-3-fluorophenyl)-3-(3,4-difluorophenyl)urea
CID 171854849
methyl N-(4-bromo-3-fluorophenyl)carbamate;molecular iodine
CID 159991921
N-(4-bromo-3-fluorophenyl)-3-chloro-2,2-dimethylpropanamide
CID 65436510
4-[(2-methylsulfonylacetyl)amino]benzoic acid
CID 60693118
4-bromo-N-(4-bromo-3-fluorophenyl)-3-fluorobenzamide
CID 65435198

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-3-fluorophenyl)-2-methylsulfonylacetamide?
The IUPAC name of N-(4-bromo-3-fluorophenyl)-2-methylsulfonylacetamide (CID 65429192) is N-(4-bromo-3-fluorophenyl)-2-methylsulfonylacetamide.
What is the SMILES notation for N-(4-bromo-3-fluorophenyl)-2-methylsulfonylacetamide?
The canonical SMILES for N-(4-bromo-3-fluorophenyl)-2-methylsulfonylacetamide is CS(=O)(=O)CC(=O)Nc1ccc(Br)c(F)c1.
What is the InChIKey of N-(4-bromo-3-fluorophenyl)-2-methylsulfonylacetamide?
The InChIKey is BALWRQKDQZMIIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrFNO3S/c1-16(14,15)5-9(13)12-6-2-3-7(10)8(11)4-6/h2-4H,5H2,1H3,(H,12,13).
What are the key properties of N-(4-bromo-3-fluorophenyl)-2-methylsulfonylacetamide?
N-(4-bromo-3-fluorophenyl)-2-methylsulfonylacetamide has a molecular weight of 310.14 g/mol, XLogP of 1.57, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-3-fluorophenyl)-2-methylsulfonylacetamide is sourced from PubChem (CID 65429192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).