N-(5-amino-1,3,4-thiadiazol-2-yl)-4-ethylbenzenesulfonamide

C10H12N4O2S2 — CID 789632

IUPACN-(5-amino-1,3,4-thiadiazol-2-yl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2nnc(N)s2)cc1
InChIInChI=1S/C10H12N4O2S2/c1-2-7-3-5-8(6-4-7)18(15,16)14-10-13-12-9(11)17-10/h3-6H,2H2,1H3,(H2,11,12)(H,13,14)
InChIKeyPLYCEJBHUPEDQX-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.48
Rot. Bonds4

About N-(5-amino-1,3,4-thiadiazol-2-yl)-4-ethylbenzenesulfonamide

N-(5-amino-1,3,4-thiadiazol-2-yl)-4-ethylbenzenesulfonamide (PubChem CID 789632) has the molecular formula C10H12N4O2S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is N-(5-amino-1,3,4-thiadiazol-2-yl)-4-ethylbenzenesulfonamide.

Molecular Properties

Compound NameN-(5-amino-1,3,4-thiadiazol-2-yl)-4-ethylbenzenesulfonamide
PubChem CID789632
Molecular FormulaC10H12N4O2S2
Molecular Weight284.37 g/mol
Exact Mass284.04
IUPAC NameN-(5-amino-1,3,4-thiadiazol-2-yl)-4-ethylbenzenesulfonamide
SMILESCCc1ccc(S(=O)(=O)Nc2nnc(N)s2)cc1
InChIInChI=1S/C10H12N4O2S2/c1-2-7-3-5-8(6-4-7)18(15,16)14-10-13-12-9(11)17-10/h3-6H,2H2,1H3,(H2,11,12)(H,13,14)
InChIKeyPLYCEJBHUPEDQX-UHFFFAOYSA-N
XLogP1.48
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.37
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-(5-amino-1,3,4-thiadiazol-2-yl)-4-ethylbenzenesulfonamide 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 N-(5-amino-1,3,4-thiadiazol-2-yl)-4-ethylbenzenesulfonamide?
The IUPAC name of N-(5-amino-1,3,4-thiadiazol-2-yl)-4-ethylbenzenesulfonamide (CID 789632) is N-(5-amino-1,3,4-thiadiazol-2-yl)-4-ethylbenzenesulfonamide.
What is the SMILES notation for N-(5-amino-1,3,4-thiadiazol-2-yl)-4-ethylbenzenesulfonamide?
The canonical SMILES for N-(5-amino-1,3,4-thiadiazol-2-yl)-4-ethylbenzenesulfonamide is CCc1ccc(S(=O)(=O)Nc2nnc(N)s2)cc1.
What is the InChIKey of N-(5-amino-1,3,4-thiadiazol-2-yl)-4-ethylbenzenesulfonamide?
The InChIKey is PLYCEJBHUPEDQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S2/c1-2-7-3-5-8(6-4-7)18(15,16)14-10-13-12-9(11)17-10/h3-6H,2H2,1H3,(H2,11,12)(H,13,14).
What are the key properties of N-(5-amino-1,3,4-thiadiazol-2-yl)-4-ethylbenzenesulfonamide?
N-(5-amino-1,3,4-thiadiazol-2-yl)-4-ethylbenzenesulfonamide has a molecular weight of 284.37 g/mol, XLogP of 1.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-amino-1,3,4-thiadiazol-2-yl)-4-ethylbenzenesulfonamide is sourced from PubChem (CID 789632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).