2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanethioamide

C11H14BrFN2O2S2 — CID 116527541

IUPAC2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanethioamide
SMILESCCCC(NS(=O)(=O)c1ccc(Br)cc1F)C(N)=S
InChIInChI=1S/C11H14BrFN2O2S2/c1-2-3-9(11(14)18)15-19(16,17)10-5-4-7(12)6-8(10)13/h4-6,9,15H,2-3H2,1H3,(H2,14,18)
InChIKeyGJQRARKWKLCUNG-UHFFFAOYSA-N
MW369.28 g/mol
LogP2.32
Rot. Bonds6

About 2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanethioamide

2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanethioamide (PubChem CID 116527541) has the molecular formula C11H14BrFN2O2S2 and a molecular weight of 369.28 g/mol. Its IUPAC name is 2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanethioamide.

Molecular Properties

Compound Name2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanethioamide
PubChem CID116527541
Molecular FormulaC11H14BrFN2O2S2
Molecular Weight369.28 g/mol
Exact Mass367.97
IUPAC Name2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanethioamide
SMILESCCCC(NS(=O)(=O)c1ccc(Br)cc1F)C(N)=S
InChIInChI=1S/C11H14BrFN2O2S2/c1-2-3-9(11(14)18)15-19(16,17)10-5-4-7(12)6-8(10)13/h4-6,9,15H,2-3H2,1H3,(H2,14,18)
InChIKeyGJQRARKWKLCUNG-UHFFFAOYSA-N
XLogP2.32
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 52.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S)-2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanoic acid
CID 104934862
2-[(4-fluorophenyl)sulfonylamino]pentanethioamide
CID 61122063
2-[(4-bromo-2-chlorophenyl)sulfonylamino]butanethioamide
CID 61122645
4-bromo-2-fluoro-N-hexan-2-ylbenzenesulfonamide
CID 116528564
4-bromo-N-[(2R)-butan-2-yl]-2-fluorobenzenesulfonamide
CID 95246466
methyl (2S)-2-[(4-bromo-2-fluorophenyl)sulfonylamino]propanoate
CID 104889696
2-[(4-bromo-2-fluorophenyl)sulfonylamino]-4-methylsulfanylbutanoic acid
CID 116527289
4-bromo-2-fluoro-N-(1-hydroxy-4,4-dimethylpentan-3-yl)benzenesulfonamide
CID 104919134
2-[[2-(trifluoromethyl)phenyl]sulfonylamino]pentanethioamide
CID 61124839
3-[(4-bromo-2-fluorophenyl)sulfonylamino]propanethioamide
CID 116527556
4-bromo-N-(2-chloropentyl)-2-fluorobenzenesulfonamide
CID 116530073
4-bromo-2-fluoro-N-propylbenzenesulfonamide
CID 116527446

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanethioamide?
The IUPAC name of 2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanethioamide (CID 116527541) is 2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanethioamide.
What is the SMILES notation for 2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanethioamide?
The canonical SMILES for 2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanethioamide is CCCC(NS(=O)(=O)c1ccc(Br)cc1F)C(N)=S.
What is the InChIKey of 2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanethioamide?
The InChIKey is GJQRARKWKLCUNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14BrFN2O2S2/c1-2-3-9(11(14)18)15-19(16,17)10-5-4-7(12)6-8(10)13/h4-6,9,15H,2-3H2,1H3,(H2,14,18).
What are the key properties of 2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanethioamide?
2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanethioamide has a molecular weight of 369.28 g/mol, XLogP of 2.32, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromo-2-fluorophenyl)sulfonylamino]pentanethioamide is sourced from PubChem (CID 116527541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).