5-amino-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-sulfonamide

C9H9FN4O2S2 — CID 113383255

IUPAC5-amino-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-sulfonamide
SMILESCc1cc(F)cc(NS(=O)(=O)c2nnc(N)s2)c1
InChIInChI=1S/C9H9FN4O2S2/c1-5-2-6(10)4-7(3-5)14-18(15,16)9-13-12-8(11)17-9/h2-4,14H,1H3,(H2,11,12)
InChIKeyYLCUUKYPJJBRPF-UHFFFAOYSA-N
MW288.33 g/mol
LogP1.37
Rot. Bonds3

About 5-amino-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-sulfonamide

5-amino-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 113383255) has the molecular formula C9H9FN4O2S2 and a molecular weight of 288.33 g/mol. Its IUPAC name is 5-amino-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-sulfonamide
PubChem CID113383255
Molecular FormulaC9H9FN4O2S2
Molecular Weight288.33 g/mol
Exact Mass288.02
IUPAC Name5-amino-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-sulfonamide
SMILESCc1cc(F)cc(NS(=O)(=O)c2nnc(N)s2)c1
InChIInChI=1S/C9H9FN4O2S2/c1-5-2-6(10)4-7(3-5)14-18(15,16)9-13-12-8(11)17-9/h2-4,14H,1H3,(H2,11,12)
InChIKeyYLCUUKYPJJBRPF-UHFFFAOYSA-N
XLogP1.37
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 51.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-(2,5-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
CID 113383113
5-amino-N-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
CID 113383135
N-[5-[(3-amino-5-fluorophenyl)sulfamoyl]-1,3,4-thiadiazol-2-yl]acetamide
CID 107334241
2-amino-N-(3-fluoro-5-methylphenyl)-4,5-dimethylbenzenesulfonamide
CID 79041128
5-amino-N-(3-fluoro-5-methylphenyl)-4-nitrothiophene-2-sulfonamide
CID 80727272
5-amino-4-bromo-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 114625894
3-amino-N-(3-fluoro-5-methylphenyl)-1-methylpyrazole-4-sulfonamide
CID 79049233
5-amino-3-bromo-2-fluoro-N-(3-fluoro-5-methylphenyl)benzenesulfonamide
CID 79041421
3-amino-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 79048625
5-(2-aminoethyl)-N-(3-fluoro-5-methylphenyl)thiophene-2-sulfonamide
CID 79049510
4-[(3-fluoro-5-methylphenyl)sulfamoyl]benzenecarbothioamide
CID 79044434
3-amino-5-chloro-N-(3-fluoro-5-methylphenyl)-2-methylbenzenesulfonamide
CID 114379875

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-amino-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-sulfonamide (CID 113383255) is 5-amino-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-amino-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-amino-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-sulfonamide is Cc1cc(F)cc(NS(=O)(=O)c2nnc(N)s2)c1.
What is the InChIKey of 5-amino-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is YLCUUKYPJJBRPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O2S2/c1-5-2-6(10)4-7(3-5)14-18(15,16)9-13-12-8(11)17-9/h2-4,14H,1H3,(H2,11,12).
What are the key properties of 5-amino-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-sulfonamide?
5-amino-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 288.33 g/mol, XLogP of 1.37, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 113383255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).