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

C8H7ClFN5O4S3 — CID 11069133

IUPAC5-[(4-amino-3-chloro-5-fluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
SMILESNc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl
InChIInChI=1S/C8H7ClFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
InChIKeyHOLJYLOVIHBQHO-UHFFFAOYSA-N
MW387.83 g/mol
LogP0.36
Rot. Bonds4

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

5-[(4-amino-3-chloro-5-fluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 11069133) has the molecular formula C8H7ClFN5O4S3 and a molecular weight of 387.83 g/mol. Its IUPAC name is 5-[(4-amino-3-chloro-5-fluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-[(4-amino-3-chloro-5-fluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
PubChem CID11069133
Molecular FormulaC8H7ClFN5O4S3
Molecular Weight387.83 g/mol
Exact Mass386.93
IUPAC Name5-[(4-amino-3-chloro-5-fluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
SMILESNc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl
InChIInChI=1S/C8H7ClFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17)
InChIKeyHOLJYLOVIHBQHO-UHFFFAOYSA-N
XLogP0.36
TPSA158.13 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.83
LogP ≤ 50.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 5-[(4-amino-3-chloro-5-fluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide 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 5-[(4-amino-3-chloro-5-fluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-[(4-amino-3-chloro-5-fluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide (CID 11069133) is 5-[(4-amino-3-chloro-5-fluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-[(4-amino-3-chloro-5-fluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-[(4-amino-3-chloro-5-fluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide is Nc1c(F)cc(S(=O)(=O)Nc2nnc(S(N)(=O)=O)s2)cc1Cl.
What is the InChIKey of 5-[(4-amino-3-chloro-5-fluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is HOLJYLOVIHBQHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7ClFN5O4S3/c9-4-1-3(2-5(10)6(4)11)22(18,19)15-7-13-14-8(20-7)21(12,16)17/h1-2H,11H2,(H,13,15)(H2,12,16,17).
What are the key properties of 5-[(4-amino-3-chloro-5-fluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide?
5-[(4-amino-3-chloro-5-fluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 387.83 g/mol, XLogP of 0.36, 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-chloro-5-fluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 11069133), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).