(2-fluoro-6-sulfamoylphenyl)thiourea

C7H8FN3O2S2 — CID 169359323

IUPAC(2-fluoro-6-sulfamoylphenyl)thiourea
SMILESNC(=S)Nc1c(F)cccc1S(N)(=O)=O
InChIInChI=1S/C7H8FN3O2S2/c8-4-2-1-3-5(15(10,12)13)6(4)11-7(9)14/h1-3H,(H3,9,11,14)(H2,10,12,13)
InChIKeyICAKATGBBNVRMT-UHFFFAOYSA-N
MW249.29 g/mol
LogP0.13
Rot. Bonds2

About (2-fluoro-6-sulfamoylphenyl)thiourea

(2-fluoro-6-sulfamoylphenyl)thiourea (PubChem CID 169359323) has the molecular formula C7H8FN3O2S2 and a molecular weight of 249.29 g/mol. Its IUPAC name is (2-fluoro-6-sulfamoylphenyl)thiourea.

Molecular Properties

Compound Name(2-fluoro-6-sulfamoylphenyl)thiourea
PubChem CID169359323
Molecular FormulaC7H8FN3O2S2
Molecular Weight249.29 g/mol
Exact Mass249.00
IUPAC Name(2-fluoro-6-sulfamoylphenyl)thiourea
SMILESNC(=S)Nc1c(F)cccc1S(N)(=O)=O
InChIInChI=1S/C7H8FN3O2S2/c8-4-2-1-3-5(15(10,12)13)6(4)11-7(9)14/h1-3H,(H3,9,11,14)(H2,10,12,13)
InChIKeyICAKATGBBNVRMT-UHFFFAOYSA-N
XLogP0.13
TPSA98.21 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.29
LogP ≤ 50.13
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[1-(4-chlorophenyl)prop-1-en-2-ylsulfonylamino]-3-fluorobenzenesulfonamide
CID 68779942
(2,6-difluoro-4-methylsulfonylphenyl)thiourea
CID 169359581
2-(carbamothioylamino)-6-fluorobenzamide
CID 169356311
[2-(difluoromethyl)-3-fluorophenyl]thiourea
CID 169359532
(2-cyclopentyloxy-6-fluorophenyl)thiourea
CID 169358948
2-[(2-chloro-1,3-thiazol-5-yl)methylamino]-3-fluorobenzenesulfonamide
CID 168581306
(3-fluoro-2-iodophenyl)thiourea
CID 130498613
(2,6-dibromo-4-sulfamoylphenyl)thiourea
CID 86202105
2-fluorobenzenesulfonamide;oxolane
CID 157248736
2-(dimethylaminosulfamoyl)-6-fluorobenzenecarbothioamide
CID 83016871
[4-[(2-fluorophenyl)sulfamoyl]phenyl]thiourea
CID 169358585
3-fluoro-2-[[(E)-2-[3-(trifluoromethyl)phenyl]ethenyl]sulfonylamino]benzenesulfonamide
CID 42643641

Frequently Asked Questions

What is the IUPAC name of (2-fluoro-6-sulfamoylphenyl)thiourea?
The IUPAC name of (2-fluoro-6-sulfamoylphenyl)thiourea (CID 169359323) is (2-fluoro-6-sulfamoylphenyl)thiourea.
What is the SMILES notation for (2-fluoro-6-sulfamoylphenyl)thiourea?
The canonical SMILES for (2-fluoro-6-sulfamoylphenyl)thiourea is NC(=S)Nc1c(F)cccc1S(N)(=O)=O.
What is the InChIKey of (2-fluoro-6-sulfamoylphenyl)thiourea?
The InChIKey is ICAKATGBBNVRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8FN3O2S2/c8-4-2-1-3-5(15(10,12)13)6(4)11-7(9)14/h1-3H,(H3,9,11,14)(H2,10,12,13).
What are the key properties of (2-fluoro-6-sulfamoylphenyl)thiourea?
(2-fluoro-6-sulfamoylphenyl)thiourea has a molecular weight of 249.29 g/mol, XLogP of 0.13, 2 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2-fluoro-6-sulfamoylphenyl)thiourea is sourced from PubChem (CID 169359323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).