3-amino-4-fluoro-2,6-dimethyl-N-(thiatriazol-5-yl)benzenesulfonamide

C9H10FN5O2S2 — CID 107326285

IUPAC3-amino-4-fluoro-2,6-dimethyl-N-(thiatriazol-5-yl)benzenesulfonamide
SMILESCc1cc(F)c(N)c(C)c1S(=O)(=O)Nc1nnns1
InChIInChI=1S/C9H10FN5O2S2/c1-4-3-6(10)7(11)5(2)8(4)19(16,17)13-9-12-14-15-18-9/h3H,11H2,1-2H3,(H,12,13,15)
InChIKeyZIZPURGQZOQZIH-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.07
Rot. Bonds3

About 3-amino-4-fluoro-2,6-dimethyl-N-(thiatriazol-5-yl)benzenesulfonamide

3-amino-4-fluoro-2,6-dimethyl-N-(thiatriazol-5-yl)benzenesulfonamide (PubChem CID 107326285) has the molecular formula C9H10FN5O2S2 and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-amino-4-fluoro-2,6-dimethyl-N-(thiatriazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-4-fluoro-2,6-dimethyl-N-(thiatriazol-5-yl)benzenesulfonamide
PubChem CID107326285
Molecular FormulaC9H10FN5O2S2
Molecular Weight303.34 g/mol
Exact Mass303.03
IUPAC Name3-amino-4-fluoro-2,6-dimethyl-N-(thiatriazol-5-yl)benzenesulfonamide
SMILESCc1cc(F)c(N)c(C)c1S(=O)(=O)Nc1nnns1
InChIInChI=1S/C9H10FN5O2S2/c1-4-3-6(10)7(11)5(2)8(4)19(16,17)13-9-12-14-15-18-9/h3H,11H2,1-2H3,(H,12,13,15)
InChIKeyZIZPURGQZOQZIH-UHFFFAOYSA-N
XLogP1.07
TPSA110.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

4-amino-2-fluoro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911741
3-amino-4-fluoro-2,6-dimethyl-N-(1,2-oxazol-3-yl)benzenesulfonamide
CID 107325808
4-amino-2-chloro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911735
2-amino-5-chloro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911766
3-methyl-4-(thiatriazol-5-ylsulfamoyl)benzenecarbothioamide
CID 106998596
methyl 4-amino-2-(thiatriazol-5-ylsulfamoyl)benzoate
CID 102931797
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 107641359
3-amino-2,4-dichloro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114911751
3-amino-4-fluoro-2,6-dimethyl-N-prop-2-enylbenzenesulfonamide
CID 107325687
3-[(3-amino-4-fluoro-2,6-dimethylphenyl)sulfonylamino]-3-methylbutanamide
CID 106095532
4-hydrazinyl-2-methyl-5-nitro-N-(thiatriazol-5-yl)benzenesulfonamide
CID 114912915
3-amino-4-fluoro-N-[(2R)-2-hydroxypropyl]-2,6-dimethylbenzenesulfonamide
CID 107326349

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-fluoro-2,6-dimethyl-N-(thiatriazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-amino-4-fluoro-2,6-dimethyl-N-(thiatriazol-5-yl)benzenesulfonamide (CID 107326285) is 3-amino-4-fluoro-2,6-dimethyl-N-(thiatriazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-4-fluoro-2,6-dimethyl-N-(thiatriazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-4-fluoro-2,6-dimethyl-N-(thiatriazol-5-yl)benzenesulfonamide is Cc1cc(F)c(N)c(C)c1S(=O)(=O)Nc1nnns1.
What is the InChIKey of 3-amino-4-fluoro-2,6-dimethyl-N-(thiatriazol-5-yl)benzenesulfonamide?
The InChIKey is ZIZPURGQZOQZIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10FN5O2S2/c1-4-3-6(10)7(11)5(2)8(4)19(16,17)13-9-12-14-15-18-9/h3H,11H2,1-2H3,(H,12,13,15).
What are the key properties of 3-amino-4-fluoro-2,6-dimethyl-N-(thiatriazol-5-yl)benzenesulfonamide?
3-amino-4-fluoro-2,6-dimethyl-N-(thiatriazol-5-yl)benzenesulfonamide has a molecular weight of 303.34 g/mol, XLogP of 1.07, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-fluoro-2,6-dimethyl-N-(thiatriazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 107326285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).