5-[(4-amino-3-iodophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide

C8H8IN5O4S3 — CID 10874216

IUPAC5-[(4-amino-3-iodophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I
InChIInChI=1S/C8H8IN5O4S3/c9-5-3-4(1-2-6(5)10)21(17,18)14-7-12-13-8(19-7)20(11,15)16/h1-3H,10H2,(H,12,14)(H2,11,15,16)
InChIKeyWUCDOXDCHOCLCO-UHFFFAOYSA-N
MW461.29 g/mol
LogP0.17
Rot. Bonds4

About 5-[(4-amino-3-iodophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide

5-[(4-amino-3-iodophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 10874216) has the molecular formula C8H8IN5O4S3 and a molecular weight of 461.29 g/mol. Its IUPAC name is 5-[(4-amino-3-iodophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-[(4-amino-3-iodophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
PubChem CID10874216
Molecular FormulaC8H8IN5O4S3
Molecular Weight461.29 g/mol
Exact Mass460.88
IUPAC Name5-[(4-amino-3-iodophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
SMILESNc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I
InChIInChI=1S/C8H8IN5O4S3/c9-5-3-4(1-2-6(5)10)21(17,18)14-7-12-13-8(19-7)20(11,15)16/h1-3H,10H2,(H,12,14)(H2,11,15,16)
InChIKeyWUCDOXDCHOCLCO-UHFFFAOYSA-N
XLogP0.17
TPSA158.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.29
LogP ≤ 50.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-amino-3-iodophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-[(4-amino-3-iodophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide (CID 10874216) is 5-[(4-amino-3-iodophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-[(4-amino-3-iodophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-[(4-amino-3-iodophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide is Nc1ccc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1I.
What is the InChIKey of 5-[(4-amino-3-iodophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is WUCDOXDCHOCLCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8IN5O4S3/c9-5-3-4(1-2-6(5)10)21(17,18)14-7-12-13-8(19-7)20(11,15)16/h1-3H,10H2,(H,12,14)(H2,11,15,16).
What are the key properties of 5-[(4-amino-3-iodophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide?
5-[(4-amino-3-iodophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 461.29 g/mol, XLogP of 0.17, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-amino-3-iodophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 10874216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).