3-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarbothioamide

C12H10FN3O2S2 — CID 103300636

IUPAC3-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarbothioamide
SMILESNC(=S)c1cccc(NS(=O)(=O)c2ncccc2F)c1
InChIInChI=1S/C12H10FN3O2S2/c13-10-5-2-6-15-12(10)20(17,18)16-9-4-1-3-8(7-9)11(14)19/h1-7,16H,(H2,14,19)
InChIKeyYOCGQJZCRVXBQR-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.66
Rot. Bonds4

About 3-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarbothioamide

3-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarbothioamide (PubChem CID 103300636) has the molecular formula C12H10FN3O2S2 and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarbothioamide.

Molecular Properties

Compound Name3-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarbothioamide
PubChem CID103300636
Molecular FormulaC12H10FN3O2S2
Molecular Weight311.36 g/mol
Exact Mass311.02
IUPAC Name3-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarbothioamide
SMILESNC(=S)c1cccc(NS(=O)(=O)c2ncccc2F)c1
InChIInChI=1S/C12H10FN3O2S2/c13-10-5-2-6-15-12(10)20(17,18)16-9-4-1-3-8(7-9)11(14)19/h1-7,16H,(H2,14,19)
InChIKeyYOCGQJZCRVXBQR-UHFFFAOYSA-N
XLogP1.66
TPSA85.08 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarbothioamide
CID 103300634
N-(3-acetylphenyl)-3-fluoropyridine-2-sulfonamide
CID 103299384
4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzamide
CID 103299122
3-[(3,4-difluorophenyl)sulfonylamino]benzenecarbothioamide
CID 43167034
N-(3,4-dichlorophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299127
3-fluoro-N-naphthalen-2-ylpyridine-2-sulfonamide
CID 103299396
4-[(3-fluoro-2-pyridinyl)sulfonylamino]pyridine-2-carboxylic acid
CID 103298797
3-[(4-methylphenyl)sulfonylamino]benzenecarbothioamide
CID 29047104
N-(4-chloro-3-cyanophenyl)-3-fluoropyridine-2-sulfonamide
CID 103299415
2-chloro-4-[(3-fluoro-2-pyridinyl)sulfonylamino]benzoic acid
CID 103298758
3-(1H-pyrazol-4-ylsulfonylamino)benzenecarbothioamide
CID 54937180
3-[(3,4-difluorophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596336

Frequently Asked Questions

What is the IUPAC name of 3-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarbothioamide?
The IUPAC name of 3-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarbothioamide (CID 103300636) is 3-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarbothioamide.
What is the SMILES notation for 3-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarbothioamide?
The canonical SMILES for 3-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarbothioamide is NC(=S)c1cccc(NS(=O)(=O)c2ncccc2F)c1.
What is the InChIKey of 3-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarbothioamide?
The InChIKey is YOCGQJZCRVXBQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FN3O2S2/c13-10-5-2-6-15-12(10)20(17,18)16-9-4-1-3-8(7-9)11(14)19/h1-7,16H,(H2,14,19).
What are the key properties of 3-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarbothioamide?
3-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarbothioamide has a molecular weight of 311.36 g/mol, XLogP of 1.66, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-fluoro-2-pyridinyl)sulfonylamino]benzenecarbothioamide is sourced from PubChem (CID 103300636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).