5-amino-N-(5-bromo-2,4-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide

C8H5BrF2N4O2S2 — CID 102854120

IUPAC5-amino-N-(5-bromo-2,4-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
SMILESNc1nnc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)s1
InChIInChI=1S/C8H5BrF2N4O2S2/c9-3-1-6(5(11)2-4(3)10)15-19(16,17)8-14-13-7(12)18-8/h1-2,15H,(H2,12,13)
InChIKeyQHGFEXYNHHYIQT-UHFFFAOYSA-N
MW371.19 g/mol
LogP1.96
Rot. Bonds3

About 5-amino-N-(5-bromo-2,4-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide

5-amino-N-(5-bromo-2,4-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 102854120) has the molecular formula C8H5BrF2N4O2S2 and a molecular weight of 371.19 g/mol. Its IUPAC name is 5-amino-N-(5-bromo-2,4-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(5-bromo-2,4-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
PubChem CID102854120
Molecular FormulaC8H5BrF2N4O2S2
Molecular Weight371.19 g/mol
Exact Mass369.90
IUPAC Name5-amino-N-(5-bromo-2,4-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
SMILESNc1nnc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)s1
InChIInChI=1S/C8H5BrF2N4O2S2/c9-3-1-6(5(11)2-4(3)10)15-19(16,17)8-14-13-7(12)18-8/h1-2,15H,(H2,12,13)
InChIKeyQHGFEXYNHHYIQT-UHFFFAOYSA-N
XLogP1.96
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.19
LogP ≤ 51.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(5-bromo-2,4-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-amino-N-(5-bromo-2,4-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide (CID 102854120) is 5-amino-N-(5-bromo-2,4-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-amino-N-(5-bromo-2,4-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-amino-N-(5-bromo-2,4-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide is Nc1nnc(S(=O)(=O)Nc2cc(Br)c(F)cc2F)s1.
What is the InChIKey of 5-amino-N-(5-bromo-2,4-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is QHGFEXYNHHYIQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5BrF2N4O2S2/c9-3-1-6(5(11)2-4(3)10)15-19(16,17)8-14-13-7(12)18-8/h1-2,15H,(H2,12,13).
What are the key properties of 5-amino-N-(5-bromo-2,4-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide?
5-amino-N-(5-bromo-2,4-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 371.19 g/mol, XLogP of 1.96, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(5-bromo-2,4-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 102854120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).