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

C15H13BrF2N2O4S — CID 60513159

IUPACN-(4-bromo-2-hydroxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)Nc1ccc(Br)cc1O
InChIInChI=1S/C15H13BrF2N2O4S/c16-9-1-4-13(14(21)7-9)20-15(22)5-6-19-25(23,24)10-2-3-11(17)12(18)8-10/h1-4,7-8,19,21H,5-6H2,(H,20,22)
InChIKeyOFGYZRWYNFRIMJ-UHFFFAOYSA-N
MW435.25 g/mol
LogP2.74
Rot. Bonds6

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

N-(4-bromo-2-hydroxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide (PubChem CID 60513159) has the molecular formula C15H13BrF2N2O4S and a molecular weight of 435.25 g/mol. Its IUPAC name is N-(4-bromo-2-hydroxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-(4-bromo-2-hydroxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
PubChem CID60513159
Molecular FormulaC15H13BrF2N2O4S
Molecular Weight435.25 g/mol
Exact Mass433.97
IUPAC NameN-(4-bromo-2-hydroxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide
SMILESO=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)Nc1ccc(Br)cc1O
InChIInChI=1S/C15H13BrF2N2O4S/c16-9-1-4-13(14(21)7-9)20-15(22)5-6-19-25(23,24)10-2-3-11(17)12(18)8-10/h1-4,7-8,19,21H,5-6H2,(H,20,22)
InChIKeyOFGYZRWYNFRIMJ-UHFFFAOYSA-N
XLogP2.74
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.25
LogP ≤ 52.74
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-[(3,4-difluorophenyl)sulfonylamino]propanamide?
The IUPAC name of N-(4-bromo-2-hydroxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide (CID 60513159) is N-(4-bromo-2-hydroxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-(4-bromo-2-hydroxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
The canonical SMILES for N-(4-bromo-2-hydroxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide is O=C(CCNS(=O)(=O)c1ccc(F)c(F)c1)Nc1ccc(Br)cc1O.
What is the InChIKey of N-(4-bromo-2-hydroxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
The InChIKey is OFGYZRWYNFRIMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrF2N2O4S/c16-9-1-4-13(14(21)7-9)20-15(22)5-6-19-25(23,24)10-2-3-11(17)12(18)8-10/h1-4,7-8,19,21H,5-6H2,(H,20,22).
What are the key properties of N-(4-bromo-2-hydroxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide?
N-(4-bromo-2-hydroxyphenyl)-3-[(3,4-difluorophenyl)sulfonylamino]propanamide has a molecular weight of 435.25 g/mol, XLogP of 2.74, 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-[(3,4-difluorophenyl)sulfonylamino]propanamide is sourced from PubChem (CID 60513159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).