2-[(2-bromo-5-fluorophenyl)sulfamoyl]ethanethioamide

C8H8BrFN2O2S2 — CID 107626087

IUPAC2-[(2-bromo-5-fluorophenyl)sulfamoyl]ethanethioamide
SMILESNC(=S)CS(=O)(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C8H8BrFN2O2S2/c9-6-2-1-5(10)3-7(6)12-16(13,14)4-8(11)15/h1-3,12H,4H2,(H2,11,15)
InChIKeyUOXZEIBVOITFPR-UHFFFAOYSA-N
MW327.20 g/mol
LogP1.62
Rot. Bonds4

About 2-[(2-bromo-5-fluorophenyl)sulfamoyl]ethanethioamide

2-[(2-bromo-5-fluorophenyl)sulfamoyl]ethanethioamide (PubChem CID 107626087) has the molecular formula C8H8BrFN2O2S2 and a molecular weight of 327.20 g/mol. Its IUPAC name is 2-[(2-bromo-5-fluorophenyl)sulfamoyl]ethanethioamide.

Molecular Properties

Compound Name2-[(2-bromo-5-fluorophenyl)sulfamoyl]ethanethioamide
PubChem CID107626087
Molecular FormulaC8H8BrFN2O2S2
Molecular Weight327.20 g/mol
Exact Mass325.92
IUPAC Name2-[(2-bromo-5-fluorophenyl)sulfamoyl]ethanethioamide
SMILESNC(=S)CS(=O)(=O)Nc1cc(F)ccc1Br
InChIInChI=1S/C8H8BrFN2O2S2/c9-6-2-1-5(10)3-7(6)12-16(13,14)4-8(11)15/h1-3,12H,4H2,(H2,11,15)
InChIKeyUOXZEIBVOITFPR-UHFFFAOYSA-N
XLogP1.62
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.20
LogP ≤ 51.62
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

1-bromo-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 107629618
1-(4-aminophenyl)-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 107624704
N-(2-bromo-5-fluorophenyl)-3,3-dimethylbutane-1-sulfonamide
CID 107640853
N-(2-bromo-5-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 103752869
1-[3-(aminomethyl)phenyl]-N-(2-bromo-5-fluorophenyl)methanesulfonamide
CID 106087470
(2-bromo-5-fluorophenyl)urea
CID 99639427
2-[(2-methylsulfanylphenyl)sulfamoyl]ethanethioamide
CID 107642029
3-amino-N-(2-bromo-5-fluorophenyl)-4-hydroxybenzenesulfonamide
CID 107624656
2-amino-5-bromo-N-(2-bromo-5-fluorophenyl)-4-fluorobenzenesulfonamide
CID 107624682
3-(aminomethyl)-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 106087505
2-amino-4,6-dibromo-N-(2-bromo-5-fluorophenyl)benzenesulfonamide
CID 107624697
4-[(2-bromo-5-fluoroanilino)methyl]benzamide
CID 103750683

Frequently Asked Questions

What is the IUPAC name of 2-[(2-bromo-5-fluorophenyl)sulfamoyl]ethanethioamide?
The IUPAC name of 2-[(2-bromo-5-fluorophenyl)sulfamoyl]ethanethioamide (CID 107626087) is 2-[(2-bromo-5-fluorophenyl)sulfamoyl]ethanethioamide.
What is the SMILES notation for 2-[(2-bromo-5-fluorophenyl)sulfamoyl]ethanethioamide?
The canonical SMILES for 2-[(2-bromo-5-fluorophenyl)sulfamoyl]ethanethioamide is NC(=S)CS(=O)(=O)Nc1cc(F)ccc1Br.
What is the InChIKey of 2-[(2-bromo-5-fluorophenyl)sulfamoyl]ethanethioamide?
The InChIKey is UOXZEIBVOITFPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8BrFN2O2S2/c9-6-2-1-5(10)3-7(6)12-16(13,14)4-8(11)15/h1-3,12H,4H2,(H2,11,15).
What are the key properties of 2-[(2-bromo-5-fluorophenyl)sulfamoyl]ethanethioamide?
2-[(2-bromo-5-fluorophenyl)sulfamoyl]ethanethioamide has a molecular weight of 327.20 g/mol, XLogP of 1.62, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-bromo-5-fluorophenyl)sulfamoyl]ethanethioamide is sourced from PubChem (CID 107626087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).