5-[(2,3,5,6-tetrafluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide

C8H4F4N4O4S3 — CID 10430595

IUPAC5-[(2,3,5,6-tetrafluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nnc(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)s1
InChIInChI=1S/C8H4F4N4O4S3/c9-2-1-3(10)5(12)6(4(2)11)23(19,20)16-7-14-15-8(21-7)22(13,17)18/h1H,(H,14,16)(H2,13,17,18)
InChIKeyPKIBTPDYAFKEOS-UHFFFAOYSA-N
MW392.34 g/mol
LogP0.54
Rot. Bonds4

About 5-[(2,3,5,6-tetrafluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide

5-[(2,3,5,6-tetrafluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 10430595) has the molecular formula C8H4F4N4O4S3 and a molecular weight of 392.34 g/mol. Its IUPAC name is 5-[(2,3,5,6-tetrafluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-[(2,3,5,6-tetrafluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
PubChem CID10430595
Molecular FormulaC8H4F4N4O4S3
Molecular Weight392.34 g/mol
Exact Mass391.93
IUPAC Name5-[(2,3,5,6-tetrafluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide
SMILESNS(=O)(=O)c1nnc(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)s1
InChIInChI=1S/C8H4F4N4O4S3/c9-2-1-3(10)5(12)6(4(2)11)23(19,20)16-7-14-15-8(21-7)22(13,17)18/h1H,(H,14,16)(H2,13,17,18)
InChIKeyPKIBTPDYAFKEOS-UHFFFAOYSA-N
XLogP0.54
TPSA132.11 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.34
LogP ≤ 50.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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-[(2,3,5,6-tetrafluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-[(2,3,5,6-tetrafluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide (CID 10430595) is 5-[(2,3,5,6-tetrafluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-[(2,3,5,6-tetrafluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-[(2,3,5,6-tetrafluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide is NS(=O)(=O)c1nnc(NS(=O)(=O)c2c(F)c(F)cc(F)c2F)s1.
What is the InChIKey of 5-[(2,3,5,6-tetrafluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is PKIBTPDYAFKEOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H4F4N4O4S3/c9-2-1-3(10)5(12)6(4(2)11)23(19,20)16-7-14-15-8(21-7)22(13,17)18/h1H,(H,14,16)(H2,13,17,18).
What are the key properties of 5-[(2,3,5,6-tetrafluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide?
5-[(2,3,5,6-tetrafluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 392.34 g/mol, XLogP of 0.54, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2,3,5,6-tetrafluorophenyl)sulfonylamino]-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 10430595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).