5-amino-2-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide

C12H15FN4O2S2 — CID 106259713

IUPAC5-amino-2-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESCC(C)Cc1nnc(NS(=O)(=O)c2cc(N)ccc2F)s1
InChIInChI=1S/C12H15FN4O2S2/c1-7(2)5-11-15-16-12(20-11)17-21(18,19)10-6-8(14)3-4-9(10)13/h3-4,6-7H,5,14H2,1-2H3,(H,16,17)
InChIKeyNOHAYLHUSIRXEN-UHFFFAOYSA-N
MW330.41 g/mol
LogP2.26
Rot. Bonds5

About 5-amino-2-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide

5-amino-2-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (PubChem CID 106259713) has the molecular formula C12H15FN4O2S2 and a molecular weight of 330.41 g/mol. Its IUPAC name is 5-amino-2-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name5-amino-2-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
PubChem CID106259713
Molecular FormulaC12H15FN4O2S2
Molecular Weight330.41 g/mol
Exact Mass330.06
IUPAC Name5-amino-2-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESCC(C)Cc1nnc(NS(=O)(=O)c2cc(N)ccc2F)s1
InChIInChI=1S/C12H15FN4O2S2/c1-7(2)5-11-15-16-12(20-11)17-21(18,19)10-6-8(14)3-4-9(10)13/h3-4,6-7H,5,14H2,1-2H3,(H,16,17)
InChIKeyNOHAYLHUSIRXEN-UHFFFAOYSA-N
XLogP2.26
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.41
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 5-amino-2-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The IUPAC name of 5-amino-2-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (CID 106259713) is 5-amino-2-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 5-amino-2-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 5-amino-2-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is CC(C)Cc1nnc(NS(=O)(=O)c2cc(N)ccc2F)s1.
What is the InChIKey of 5-amino-2-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The InChIKey is NOHAYLHUSIRXEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4O2S2/c1-7(2)5-11-15-16-12(20-11)17-21(18,19)10-6-8(14)3-4-9(10)13/h3-4,6-7H,5,14H2,1-2H3,(H,16,17).
What are the key properties of 5-amino-2-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
5-amino-2-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide has a molecular weight of 330.41 g/mol, XLogP of 2.26, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-fluoro-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 106259713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).