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

C10H12N4O2S2 — CID 20983487

IUPAC3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cccc(N)c2)s1
InChIInChI=1S/C10H12N4O2S2/c1-2-9-12-13-10(17-9)14-18(15,16)8-5-3-4-7(11)6-8/h3-6H,2,11H2,1H3,(H,13,14)
InChIKeyOHOQIHJCZDWKJW-UHFFFAOYSA-N
MW284.37 g/mol
LogP1.48
Rot. Bonds4

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

3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 20983487) has the molecular formula C10H12N4O2S2 and a molecular weight of 284.37 g/mol. Its IUPAC name is 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID20983487
Molecular FormulaC10H12N4O2S2
Molecular Weight284.37 g/mol
Exact Mass284.04
IUPAC Name3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESCCc1nnc(NS(=O)(=O)c2cccc(N)c2)s1
InChIInChI=1S/C10H12N4O2S2/c1-2-9-12-13-10(17-9)14-18(15,16)8-5-3-4-7(11)6-8/h3-6H,2,11H2,1H3,(H,13,14)
InChIKeyOHOQIHJCZDWKJW-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

Computed Properties (RDKit)

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

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Related Compounds

3-amino-N-[5-(2-methylpropyl)-1,3,4-thiadiazol-2-yl]benzenesulfonamide
CID 20983490
sodium;4-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide;hydride
CID 3083738
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-nitrobenzenesulfonamide
CID 5179184
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(1-hydroxypropyl)benzenesulfonamide
CID 107642763
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-[1-(methylamino)ethyl]benzenesulfonamide
CID 107642106
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-nitrobenzenesulfonamide
CID 107642974
4-ethyl-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
CID 25041652
3-(aminomethyl)-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-methoxybenzenesulfonamide
CID 106089691
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-propylbenzenesulfonamide
CID 3414696
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-2,4,6-trimethylbenzenesulfonamide
CID 107641359
N-(5-ethyl-1,3,4-thiadiazol-2-yl)-3-(morpholine-4-carbonyl)benzenesulfonamide
CID 68531720
3-chloro-N-(5-ethyl-1,3,4-thiadiazol-2-yl)-4-(hydroxymethyl)benzenesulfonamide
CID 106000069

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 20983487) is 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is CCc1nnc(NS(=O)(=O)c2cccc(N)c2)s1.
What is the InChIKey of 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is OHOQIHJCZDWKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N4O2S2/c1-2-9-12-13-10(17-9)14-18(15,16)8-5-3-4-7(11)6-8/h3-6H,2,11H2,1H3,(H,13,14).
What are the key properties of 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide 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 3-amino-N-(5-ethyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 20983487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).