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

C12H16N4O2S2 — CID 20983490

IUPAC3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESCC(C)Cc1nnc(NS(=O)(=O)c2cccc(N)c2)s1
InChIInChI=1S/C12H16N4O2S2/c1-8(2)6-11-14-15-12(19-11)16-20(17,18)10-5-3-4-9(13)7-10/h3-5,7-8H,6,13H2,1-2H3,(H,15,16)
InChIKeyPZJUIMJGDQIPLI-UHFFFAOYSA-N
MW312.42 g/mol
LogP2.12
Rot. Bonds5

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

3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (PubChem CID 20983490) has the molecular formula C12H16N4O2S2 and a molecular weight of 312.42 g/mol. Its IUPAC name is 3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
PubChem CID20983490
Molecular FormulaC12H16N4O2S2
Molecular Weight312.42 g/mol
Exact Mass312.07
IUPAC Name3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
SMILESCC(C)Cc1nnc(NS(=O)(=O)c2cccc(N)c2)s1
InChIInChI=1S/C12H16N4O2S2/c1-8(2)6-11-14-15-12(19-11)16-20(17,18)10-5-3-4-9(13)7-10/h3-5,7-8H,6,13H2,1-2H3,(H,15,16)
InChIKeyPZJUIMJGDQIPLI-UHFFFAOYSA-N
XLogP2.12
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.42
LogP ≤ 52.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

Sulfamethizole
CID 5328
Sulfaethidole
CID 7181
Glybuthiazol
CID 10811
Glyprothiazol
CID 66458
N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzenesulfonamide
CID 2162129
N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-4-nitrobenzenesulfonamide
CID 2162125
Sulfamethizole sodium
CID 23667549
4-Benzenesulfonylamino-N-(5-ethyl-[1,3,4]thiadiazol-2-yl)-benzenesulfonamide
CID 653694
4-amino-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzene-1-sulfonamide hydrochloride
CID 21982981
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzenesulfonamide
CID 2055905
Etazole soluble
CID 23616379
Sulfamethizole-13C6
CID 71312599

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The IUPAC name of 3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide (CID 20983490) is 3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The canonical SMILES for 3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is CC(C)Cc1nnc(NS(=O)(=O)c2cccc(N)c2)s1.
What is the InChIKey of 3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
The InChIKey is PZJUIMJGDQIPLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2S2/c1-8(2)6-11-14-15-12(19-11)16-20(17,18)10-5-3-4-9(13)7-10/h3-5,7-8H,6,13H2,1-2H3,(H,15,16).
What are the key properties of 3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide?
3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide has a molecular weight of 312.42 g/mol, XLogP of 2.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 20983490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).