5-fluoro-2-[(4-fluorophenyl)sulfonylamino]benzenecarbothioamide

C13H10F2N2O2S2 — CID 82683778

IUPAC5-fluoro-2-[(4-fluorophenyl)sulfonylamino]benzenecarbothioamide
SMILESNC(=S)c1cc(F)ccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H10F2N2O2S2/c14-8-1-4-10(5-2-8)21(18,19)17-12-6-3-9(15)7-11(12)13(16)20/h1-7,17H,(H2,16,20)
InChIKeyGIYRUPXDCLRJQY-UHFFFAOYSA-N
MW328.37 g/mol
LogP2.40
Rot. Bonds4

About 5-fluoro-2-[(4-fluorophenyl)sulfonylamino]benzenecarbothioamide

5-fluoro-2-[(4-fluorophenyl)sulfonylamino]benzenecarbothioamide (PubChem CID 82683778) has the molecular formula C13H10F2N2O2S2 and a molecular weight of 328.37 g/mol. Its IUPAC name is 5-fluoro-2-[(4-fluorophenyl)sulfonylamino]benzenecarbothioamide.

Molecular Properties

Compound Name5-fluoro-2-[(4-fluorophenyl)sulfonylamino]benzenecarbothioamide
PubChem CID82683778
Molecular FormulaC13H10F2N2O2S2
Molecular Weight328.37 g/mol
Exact Mass328.02
IUPAC Name5-fluoro-2-[(4-fluorophenyl)sulfonylamino]benzenecarbothioamide
SMILESNC(=S)c1cc(F)ccc1NS(=O)(=O)c1ccc(F)cc1
InChIInChI=1S/C13H10F2N2O2S2/c14-8-1-4-10(5-2-8)21(18,19)17-12-6-3-9(15)7-11(12)13(16)20/h1-7,17H,(H2,16,20)
InChIKeyGIYRUPXDCLRJQY-UHFFFAOYSA-N
XLogP2.40
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.37
LogP ≤ 52.40
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-[(3-bromophenyl)sulfonylamino]-5-fluorobenzenecarbothioamide
CID 82016859
2-(ethylsulfamoylamino)-5-fluorobenzenecarbothioamide
CID 114808511
5-fluoro-2-(2-methylsulfonylethylsulfonylamino)benzenecarbothioamide
CID 82016244
2-[(5-bromo-4-methylthiophen-2-yl)sulfonylamino]-5-fluorobenzenecarbothioamide
CID 82016998
2-[(4-chloro-1-methylpyrazol-5-yl)sulfonylamino]-5-fluorobenzenecarbothioamide
CID 106314594
2-[(2,5-difluorophenyl)sulfonylamino]benzenecarbothioamide
CID 43236177
5-fluoro-2-(4-fluoroanilino)benzenecarbothioamide
CID 55233894
2-[(1-ethylimidazol-4-yl)sulfonylamino]-5-fluorobenzenecarbothioamide
CID 82016863
4-bromo-2-[(4-bromophenyl)sulfonylamino]benzenecarbothioamide
CID 107799027
N-[4-fluoro-2-(2-hydroxyacetyl)phenyl]-4-methylbenzenesulfonamide
CID 153295632
5-fluoro-2-(2-propan-2-yloxyethylsulfonylamino)benzenecarbothioamide
CID 82015535
propan-2-yl N-[(2-carbamothioyl-4-fluorophenyl)sulfamoyl]carbamate
CID 114463692

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-[(4-fluorophenyl)sulfonylamino]benzenecarbothioamide?
The IUPAC name of 5-fluoro-2-[(4-fluorophenyl)sulfonylamino]benzenecarbothioamide (CID 82683778) is 5-fluoro-2-[(4-fluorophenyl)sulfonylamino]benzenecarbothioamide.
What is the SMILES notation for 5-fluoro-2-[(4-fluorophenyl)sulfonylamino]benzenecarbothioamide?
The canonical SMILES for 5-fluoro-2-[(4-fluorophenyl)sulfonylamino]benzenecarbothioamide is NC(=S)c1cc(F)ccc1NS(=O)(=O)c1ccc(F)cc1.
What is the InChIKey of 5-fluoro-2-[(4-fluorophenyl)sulfonylamino]benzenecarbothioamide?
The InChIKey is GIYRUPXDCLRJQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10F2N2O2S2/c14-8-1-4-10(5-2-8)21(18,19)17-12-6-3-9(15)7-11(12)13(16)20/h1-7,17H,(H2,16,20).
What are the key properties of 5-fluoro-2-[(4-fluorophenyl)sulfonylamino]benzenecarbothioamide?
5-fluoro-2-[(4-fluorophenyl)sulfonylamino]benzenecarbothioamide has a molecular weight of 328.37 g/mol, XLogP of 2.40, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-[(4-fluorophenyl)sulfonylamino]benzenecarbothioamide is sourced from PubChem (CID 82683778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).