3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide

C15H14BrFN2O3S — CID 9412446

IUPAC3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Br)c1)Nc1cccc(F)c1
InChIInChI=1S/C15H14BrFN2O3S/c16-11-3-1-6-14(9-11)23(21,22)18-8-7-15(20)19-13-5-2-4-12(17)10-13/h1-6,9-10,18H,7-8H2,(H,19,20)
InChIKeyOZXURXULGGJKJK-UHFFFAOYSA-N
MW401.26 g/mol
LogP2.90
Rot. Bonds6

About 3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide

3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide (PubChem CID 9412446) has the molecular formula C15H14BrFN2O3S and a molecular weight of 401.26 g/mol. Its IUPAC name is 3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide.

Molecular Properties

Compound Name3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
PubChem CID9412446
Molecular FormulaC15H14BrFN2O3S
Molecular Weight401.26 g/mol
Exact Mass399.99
IUPAC Name3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccc(Br)c1)Nc1cccc(F)c1
InChIInChI=1S/C15H14BrFN2O3S/c16-11-3-1-6-14(9-11)23(21,22)18-8-7-15(20)19-13-5-2-4-12(17)10-13/h1-6,9-10,18H,7-8H2,(H,19,20)
InChIKeyOZXURXULGGJKJK-UHFFFAOYSA-N
XLogP2.90
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.26
LogP ≤ 52.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

3-[(3-bromophenyl)sulfonylamino]-N-(4-fluorophenyl)propanamide
CID 42053193
3-[(4-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide
CID 2576569
3-(benzenesulfonamido)-N-(3-fluorophenyl)propanamide
CID 9412312
N-(3-fluorophenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
CID 17192108
3-[(3-bromophenyl)sulfonylamino]-N-(3,5-dimethylphenyl)propanamide
CID 26696299
3-[(3-bromophenyl)sulfonylamino]-N-[4-(propanoylamino)phenyl]propanamide
CID 55846241
N-(3-fluorophenyl)-3-[(4-methoxyphenyl)sulfonylamino]propanamide
CID 17192589
N-(3-fluorophenyl)-3-[(2-oxo-1H-quinolin-6-yl)sulfonylamino]propanamide
CID 126459076
3-[(3-bromophenyl)sulfonylamino]-N-[4-(3,5-dimethylpyrazol-1-yl)-3-fluorophenyl]propanamide
CID 55950292
3-[(3-bromophenyl)sulfonylamino]-N-(6-methyl-2-pyridinyl)propanamide
CID 35505773
3-[(3-bromophenyl)sulfonylamino]propanamide
CID 60639037
2-(benzenesulfonamido)-N-(3-fluorophenyl)acetamide
CID 891841

Frequently Asked Questions

What is the IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide?
The IUPAC name of 3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide (CID 9412446) is 3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide.
What is the SMILES notation for 3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide?
The canonical SMILES for 3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide is O=C(CCNS(=O)(=O)c1cccc(Br)c1)Nc1cccc(F)c1.
What is the InChIKey of 3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide?
The InChIKey is OZXURXULGGJKJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O3S/c16-11-3-1-6-14(9-11)23(21,22)18-8-7-15(20)19-13-5-2-4-12(17)10-13/h1-6,9-10,18H,7-8H2,(H,19,20).
What are the key properties of 3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide?
3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide has a molecular weight of 401.26 g/mol, XLogP of 2.90, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-bromophenyl)sulfonylamino]-N-(3-fluorophenyl)propanamide is sourced from PubChem (CID 9412446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).