2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide

C14H13FN2O2S2 — CID 62306143

IUPAC2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide
SMILESNC(=S)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H13FN2O2S2/c15-11-3-7-13(8-4-11)21(18,19)17-12-5-1-10(2-6-12)9-14(16)20/h1-8,17H,9H2,(H2,16,20)
InChIKeySVUXAKRCABVDLI-UHFFFAOYSA-N
MW324.40 g/mol
LogP2.46
Rot. Bonds5

About 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide

2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide (PubChem CID 62306143) has the molecular formula C14H13FN2O2S2 and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide.

Molecular Properties

Compound Name2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide
PubChem CID62306143
Molecular FormulaC14H13FN2O2S2
Molecular Weight324.40 g/mol
Exact Mass324.04
IUPAC Name2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide
SMILESNC(=S)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1
InChIInChI=1S/C14H13FN2O2S2/c15-11-3-7-13(8-4-11)21(18,19)17-12-5-1-10(2-6-12)9-14(16)20/h1-8,17H,9H2,(H2,16,20)
InChIKeySVUXAKRCABVDLI-UHFFFAOYSA-N
XLogP2.46
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 52.46
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

2-[4-[(4-iodophenyl)sulfamoyl]phenyl]ethanethioamide
CID 79185293
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetic acid
CID 672063
(2-amino-2-oxoethyl) 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]acetate
CID 7824604
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-methoxyacetamide
CID 33102586
N-[4-(bromomethyl)phenyl]-4-fluorobenzenesulfonamide
CID 18629013
2-[4-(pyrimidin-5-ylsulfamoyl)phenyl]ethanethioamide
CID 107588798
2-[4-[(3-iodophenyl)sulfamoyl]phenyl]ethanethioamide
CID 79185295
4-[(4-fluorophenyl)sulfamoyl]benzamide
CID 2098781
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(4-methylphenyl)acetamide
CID 27228794
N-[4-[(4-fluorophenyl)sulfamoyl]phenyl]-2-(4-methylphenyl)acetamide
CID 28580249
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]-N-(2-methylpropyl)acetamide
CID 51163743
4-fluoro-N-(4-hydroxyphenyl)benzenesulfonamide
CID 764850

Frequently Asked Questions

What is the IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide?
The IUPAC name of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide (CID 62306143) is 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide.
What is the SMILES notation for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide?
The canonical SMILES for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide is NC(=S)Cc1ccc(NS(=O)(=O)c2ccc(F)cc2)cc1.
What is the InChIKey of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide?
The InChIKey is SVUXAKRCABVDLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN2O2S2/c15-11-3-7-13(8-4-11)21(18,19)17-12-5-1-10(2-6-12)9-14(16)20/h1-8,17H,9H2,(H2,16,20).
What are the key properties of 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide?
2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide has a molecular weight of 324.40 g/mol, XLogP of 2.46, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[(4-fluorophenyl)sulfonylamino]phenyl]ethanethioamide is sourced from PubChem (CID 62306143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).