2-[(5-bromo-2,4-difluorophenyl)sulfonylamino]-4-methylpentanamide

C12H15BrF2N2O3S — CID 174207117

IUPAC2-[(5-bromo-2,4-difluorophenyl)sulfonylamino]-4-methylpentanamide
SMILESCC(C)CC(NS(=O)(=O)c1cc(Br)c(F)cc1F)C(N)=O
InChIInChI=1S/C12H15BrF2N2O3S/c1-6(2)3-10(12(16)18)17-21(19,20)11-4-7(13)8(14)5-9(11)15/h4-6,10,17H,3H2,1-2H3,(H2,16,18)
InChIKeyUZFLLTOLACWPAV-UHFFFAOYSA-N
MW385.23 g/mol
LogP1.91
Rot. Bonds6

About 2-[(5-bromo-2,4-difluorophenyl)sulfonylamino]-4-methylpentanamide

2-[(5-bromo-2,4-difluorophenyl)sulfonylamino]-4-methylpentanamide (PubChem CID 174207117) has the molecular formula C12H15BrF2N2O3S and a molecular weight of 385.23 g/mol. Its IUPAC name is 2-[(5-bromo-2,4-difluorophenyl)sulfonylamino]-4-methylpentanamide.

Molecular Properties

Compound Name2-[(5-bromo-2,4-difluorophenyl)sulfonylamino]-4-methylpentanamide
PubChem CID174207117
Molecular FormulaC12H15BrF2N2O3S
Molecular Weight385.23 g/mol
Exact Mass384.00
IUPAC Name2-[(5-bromo-2,4-difluorophenyl)sulfonylamino]-4-methylpentanamide
SMILESCC(C)CC(NS(=O)(=O)c1cc(Br)c(F)cc1F)C(N)=O
InChIInChI=1S/C12H15BrF2N2O3S/c1-6(2)3-10(12(16)18)17-21(19,20)11-4-7(13)8(14)5-9(11)15/h4-6,10,17H,3H2,1-2H3,(H2,16,18)
InChIKeyUZFLLTOLACWPAV-UHFFFAOYSA-N
XLogP1.91
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.23
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[(5-bromo-2,4-difluorophenyl)sulfonylamino]-4-methylpentanamide?
The IUPAC name of 2-[(5-bromo-2,4-difluorophenyl)sulfonylamino]-4-methylpentanamide (CID 174207117) is 2-[(5-bromo-2,4-difluorophenyl)sulfonylamino]-4-methylpentanamide.
What is the SMILES notation for 2-[(5-bromo-2,4-difluorophenyl)sulfonylamino]-4-methylpentanamide?
The canonical SMILES for 2-[(5-bromo-2,4-difluorophenyl)sulfonylamino]-4-methylpentanamide is CC(C)CC(NS(=O)(=O)c1cc(Br)c(F)cc1F)C(N)=O.
What is the InChIKey of 2-[(5-bromo-2,4-difluorophenyl)sulfonylamino]-4-methylpentanamide?
The InChIKey is UZFLLTOLACWPAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15BrF2N2O3S/c1-6(2)3-10(12(16)18)17-21(19,20)11-4-7(13)8(14)5-9(11)15/h4-6,10,17H,3H2,1-2H3,(H2,16,18).
What are the key properties of 2-[(5-bromo-2,4-difluorophenyl)sulfonylamino]-4-methylpentanamide?
2-[(5-bromo-2,4-difluorophenyl)sulfonylamino]-4-methylpentanamide has a molecular weight of 385.23 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-bromo-2,4-difluorophenyl)sulfonylamino]-4-methylpentanamide is sourced from PubChem (CID 174207117), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).