N-(3-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)acetamide

C12H9BrFNO3S2 — CID 155946992

IUPACN-(3-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C12H9BrFNO3S2/c13-10-4-5-19-12(10)20(17,18)15-11(16)7-8-2-1-3-9(14)6-8/h1-6H,7H2,(H,15,16)
InChIKeyCJMLJFKCZPHSCW-UHFFFAOYSA-N
MW378.24 g/mol
LogP2.70
Rot. Bonds4

About N-(3-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)acetamide

N-(3-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)acetamide (PubChem CID 155946992) has the molecular formula C12H9BrFNO3S2 and a molecular weight of 378.24 g/mol. Its IUPAC name is N-(3-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)acetamide.

Molecular Properties

Compound NameN-(3-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)acetamide
PubChem CID155946992
Molecular FormulaC12H9BrFNO3S2
Molecular Weight378.24 g/mol
Exact Mass376.92
IUPAC NameN-(3-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)acetamide
SMILESO=C(Cc1cccc(F)c1)NS(=O)(=O)c1sccc1Br
InChIInChI=1S/C12H9BrFNO3S2/c13-10-4-5-19-12(10)20(17,18)15-11(16)7-8-2-1-3-9(14)6-8/h1-6H,7H2,(H,15,16)
InChIKeyCJMLJFKCZPHSCW-UHFFFAOYSA-N
XLogP2.70
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.24
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(2-bromo-5-fluorophenyl)-3-(3-fluorophenyl)propan-2-one
CID 62621730
N-[4-[[2-(3-fluorophenyl)acetyl]sulfamoyl]phenyl]-2,2-dimethylpropanamide
CID 155952127
(3-fluorophenyl)methyl 3-bromothiophene-2-carboxylate
CID 78902302
3-bromo-N-[(3-methylphenyl)methyl]thiophene-2-sulfonamide
CID 61072677
N-(4-bromo-2,5-difluorophenyl)-2-(3-fluorophenyl)acetamide
CID 103842716
N-(5-bromo-4-fluoro-2-methylphenyl)-2-(3-fluorophenyl)acetamide
CID 103274575
1-(3-bromothiophen-2-yl)-2-[(3-fluorophenyl)methyl-methylamino]ethanone
CID 62050577
2-(4-bromophenyl)-N-(3-methoxythiophen-2-yl)sulfonylacetamide
CID 155949428
methyl 4-bromo-3-[[2-(3-fluorophenyl)acetyl]amino]thiophene-2-carboxylate
CID 176893696
N-(2-amino-4-fluorophenyl)-3-bromothiophene-2-sulfonamide
CID 54947239
3-(3-fluorophenyl)-2-oxopropane-1-sulfonic acid
CID 115038716
3-bromo-N-(3,4,5-trifluorophenyl)thiophene-2-sulfonamide
CID 55119423

Frequently Asked Questions

What is the IUPAC name of N-(3-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)acetamide?
The IUPAC name of N-(3-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)acetamide (CID 155946992) is N-(3-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)acetamide.
What is the SMILES notation for N-(3-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)acetamide?
The canonical SMILES for N-(3-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)acetamide is O=C(Cc1cccc(F)c1)NS(=O)(=O)c1sccc1Br.
What is the InChIKey of N-(3-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)acetamide?
The InChIKey is CJMLJFKCZPHSCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9BrFNO3S2/c13-10-4-5-19-12(10)20(17,18)15-11(16)7-8-2-1-3-9(14)6-8/h1-6H,7H2,(H,15,16).
What are the key properties of N-(3-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)acetamide?
N-(3-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)acetamide has a molecular weight of 378.24 g/mol, XLogP of 2.70, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromothiophen-2-yl)sulfonyl-2-(3-fluorophenyl)acetamide is sourced from PubChem (CID 155946992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).