N-(4-bromo-2-fluorophenyl)-3-(4-bromophenyl)sulfonylpropanamide

C15H12Br2FNO3S — CID 4293410

IUPACN-(4-bromo-2-fluorophenyl)-3-(4-bromophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H12Br2FNO3S/c16-10-1-4-12(5-2-10)23(21,22)8-7-15(20)19-14-6-3-11(17)9-13(14)18/h1-6,9H,7-8H2,(H,19,20)
InChIKeyAPUTYMNCRFBYNJ-UHFFFAOYSA-N
MW465.14 g/mol
LogP4.15
Rot. Bonds5

About N-(4-bromo-2-fluorophenyl)-3-(4-bromophenyl)sulfonylpropanamide

N-(4-bromo-2-fluorophenyl)-3-(4-bromophenyl)sulfonylpropanamide (PubChem CID 4293410) has the molecular formula C15H12Br2FNO3S and a molecular weight of 465.14 g/mol. Its IUPAC name is N-(4-bromo-2-fluorophenyl)-3-(4-bromophenyl)sulfonylpropanamide.

Molecular Properties

Compound NameN-(4-bromo-2-fluorophenyl)-3-(4-bromophenyl)sulfonylpropanamide
PubChem CID4293410
Molecular FormulaC15H12Br2FNO3S
Molecular Weight465.14 g/mol
Exact Mass462.89
IUPAC NameN-(4-bromo-2-fluorophenyl)-3-(4-bromophenyl)sulfonylpropanamide
SMILESO=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(Br)cc1F
InChIInChI=1S/C15H12Br2FNO3S/c16-10-1-4-12(5-2-10)23(21,22)8-7-15(20)19-14-6-3-11(17)9-13(14)18/h1-6,9H,7-8H2,(H,19,20)
InChIKeyAPUTYMNCRFBYNJ-UHFFFAOYSA-N
XLogP4.15
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.14
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-bromophenyl)-3-(phenylthio)propanamide
CID 875277
3-[(4-bromophenyl)sulfonyl]-N-(2-chlorophenyl)propanamide
CID 4109101
N-(2-bromophenyl)-2-[(4-fluorophenyl)sulfanyl]acetamide
CID 720565
N-(4-bromophenyl)-2-((4-fluorophenyl)thio)acetamide
CID 893673
N-(4-bromophenyl)-3-[(4-methylphenyl)sulfonyl]propanamide
CID 1303359
3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
CID 2576569
3-[(4-bromophenyl)sulfonyl]-N-(2-ethylphenyl)propanamide
CID 3457957
3-[(4-bromophenyl)sulfonyl]-N-(4-ethylphenyl)propanamide
CID 3457958
3-[(4-bromophenyl)sulfonyl]-N-(2-methylphenyl)propanamide
CID 4293413
3-[(4-bromophenyl)sulfonyl]-N-(3-methylphenyl)propanamide
CID 1343016
N-(2-fluorophenyl)-3-(phenylsulfonyl)propanamide
CID 6458572
1-{3-[(4-Bromophenyl)sulfonyl]propanoyl}-4-(2-fluorophenyl)piperazine
CID 3240165

Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(4-bromophenyl)sulfonylpropanamide?
The IUPAC name of N-(4-bromo-2-fluorophenyl)-3-(4-bromophenyl)sulfonylpropanamide (CID 4293410) is N-(4-bromo-2-fluorophenyl)-3-(4-bromophenyl)sulfonylpropanamide.
What is the SMILES notation for N-(4-bromo-2-fluorophenyl)-3-(4-bromophenyl)sulfonylpropanamide?
The canonical SMILES for N-(4-bromo-2-fluorophenyl)-3-(4-bromophenyl)sulfonylpropanamide is O=C(CCS(=O)(=O)c1ccc(Br)cc1)Nc1ccc(Br)cc1F.
What is the InChIKey of N-(4-bromo-2-fluorophenyl)-3-(4-bromophenyl)sulfonylpropanamide?
The InChIKey is APUTYMNCRFBYNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12Br2FNO3S/c16-10-1-4-12(5-2-10)23(21,22)8-7-15(20)19-14-6-3-11(17)9-13(14)18/h1-6,9H,7-8H2,(H,19,20).
What are the key properties of N-(4-bromo-2-fluorophenyl)-3-(4-bromophenyl)sulfonylpropanamide?
N-(4-bromo-2-fluorophenyl)-3-(4-bromophenyl)sulfonylpropanamide has a molecular weight of 465.14 g/mol, XLogP of 4.15, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-fluorophenyl)-3-(4-bromophenyl)sulfonylpropanamide is sourced from PubChem (CID 4293410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).