N-(4-bromo-2-hydroxyphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide

C15H14BrFN2O4S — CID 60513107

IUPACN-(4-bromo-2-hydroxyphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1O
InChIInChI=1S/C15H14BrFN2O4S/c16-10-1-6-13(14(20)9-10)19-15(21)7-8-18-24(22,23)12-4-2-11(17)3-5-12/h1-6,9,18,20H,7-8H2,(H,19,21)
InChIKeyHPLFXQFIYMWEGI-UHFFFAOYSA-N
MW417.26 g/mol
LogP2.60
Rot. Bonds6

About N-(4-bromo-2-hydroxyphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide

N-(4-bromo-2-hydroxyphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide (PubChem CID 60513107) has the molecular formula C15H14BrFN2O4S and a molecular weight of 417.26 g/mol. Its IUPAC name is N-(4-bromo-2-hydroxyphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-hydroxyphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
PubChem CID60513107
Molecular FormulaC15H14BrFN2O4S
Molecular Weight417.26 g/mol
Exact Mass415.98
IUPAC NameN-(4-bromo-2-hydroxyphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1O
InChIInChI=1S/C15H14BrFN2O4S/c16-10-1-6-13(14(20)9-10)19-15(21)7-8-18-24(22,23)12-4-2-11(17)3-5-12/h1-6,9,18,20H,7-8H2,(H,19,21)
InChIKeyHPLFXQFIYMWEGI-UHFFFAOYSA-N
XLogP2.60
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.26
LogP ≤ 52.60
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'catechol', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(4-bromo-2-hydroxyphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(4-bromo-2-hydroxyphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide (CID 60513107) is N-(4-bromo-2-hydroxyphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(4-bromo-2-hydroxyphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(4-bromo-2-hydroxyphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide is O=C(CCNS(=O)(=O)c1ccc(F)cc1)Nc1ccc(Br)cc1O.
What is the InChIKey of N-(4-bromo-2-hydroxyphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide?
The InChIKey is HPLFXQFIYMWEGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14BrFN2O4S/c16-10-1-6-13(14(20)9-10)19-15(21)7-8-18-24(22,23)12-4-2-11(17)3-5-12/h1-6,9,18,20H,7-8H2,(H,19,21).
What are the key properties of N-(4-bromo-2-hydroxyphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide?
N-(4-bromo-2-hydroxyphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide has a molecular weight of 417.26 g/mol, XLogP of 2.60, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromo-2-hydroxyphenyl)-3-[(4-fluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 60513107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).