2-amino-6-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide

C8H9N5O2S2 — CID 151406600

IUPAC2-amino-6-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESNc1nnc(-c2cccc(N)c2S(N)(=O)=O)s1
InChIInChI=1S/C8H9N5O2S2/c9-5-3-1-2-4(6(5)17(11,14)15)7-12-13-8(10)16-7/h1-3H,9H2,(H2,10,13)(H2,11,14,15)
InChIKeyOXQCTSOUHIOJAC-UHFFFAOYSA-N
MW271.33 g/mol
LogP0.02
Rot. Bonds2

About 2-amino-6-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide

2-amino-6-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide (PubChem CID 151406600) has the molecular formula C8H9N5O2S2 and a molecular weight of 271.33 g/mol. Its IUPAC name is 2-amino-6-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-amino-6-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide
PubChem CID151406600
Molecular FormulaC8H9N5O2S2
Molecular Weight271.33 g/mol
Exact Mass271.02
IUPAC Name2-amino-6-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide
SMILESNc1nnc(-c2cccc(N)c2S(N)(=O)=O)s1
InChIInChI=1S/C8H9N5O2S2/c9-5-3-1-2-4(6(5)17(11,14)15)7-12-13-8(10)16-7/h1-3H,9H2,(H2,10,13)(H2,11,14,15)
InChIKeyOXQCTSOUHIOJAC-UHFFFAOYSA-N
XLogP0.02
TPSA137.98 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.33
LogP ≤ 50.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The IUPAC name of 2-amino-6-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide (CID 151406600) is 2-amino-6-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide.
What is the SMILES notation for 2-amino-6-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The canonical SMILES for 2-amino-6-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide is Nc1nnc(-c2cccc(N)c2S(N)(=O)=O)s1.
What is the InChIKey of 2-amino-6-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
The InChIKey is OXQCTSOUHIOJAC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2S2/c9-5-3-1-2-4(6(5)17(11,14)15)7-12-13-8(10)16-7/h1-3H,9H2,(H2,10,13)(H2,11,14,15).
What are the key properties of 2-amino-6-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide?
2-amino-6-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide has a molecular weight of 271.33 g/mol, XLogP of 0.02, 2 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-(5-amino-1,3,4-thiadiazol-2-yl)benzenesulfonamide is sourced from PubChem (CID 151406600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).