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

C8H6F2N4O2S2 — CID 113383113

IUPAC5-amino-N-(2,5-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
SMILESNc1nnc(S(=O)(=O)Nc2cc(F)ccc2F)s1
InChIInChI=1S/C8H6F2N4O2S2/c9-4-1-2-5(10)6(3-4)14-18(15,16)8-13-12-7(11)17-8/h1-3,14H,(H2,11,12)
InChIKeyAGJRLQRDOQLJKI-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.20
Rot. Bonds3

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

5-amino-N-(2,5-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide (PubChem CID 113383113) has the molecular formula C8H6F2N4O2S2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 5-amino-N-(2,5-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide.

Molecular Properties

Compound Name5-amino-N-(2,5-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
PubChem CID113383113
Molecular FormulaC8H6F2N4O2S2
Molecular Weight292.29 g/mol
Exact Mass291.99
IUPAC Name5-amino-N-(2,5-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
SMILESNc1nnc(S(=O)(=O)Nc2cc(F)ccc2F)s1
InChIInChI=1S/C8H6F2N4O2S2/c9-4-1-2-5(10)6(3-4)14-18(15,16)8-13-12-7(11)17-8/h1-3,14H,(H2,11,12)
InChIKeyAGJRLQRDOQLJKI-UHFFFAOYSA-N
XLogP1.20
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.29
LogP ≤ 51.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-amino-N-(2-chloro-4-fluorophenyl)-1,3,4-thiadiazole-2-sulfonamide
CID 113383135
5-amino-N-(3-fluoro-5-methylphenyl)-1,3,4-thiadiazole-2-sulfonamide
CID 113383255
4-amino-N-(2,5-difluorophenyl)benzenesulfonamide
CID 2730891
5-amino-N-(2-bromo-4-iodophenyl)-1,3,4-thiadiazole-2-sulfonamide
CID 114260653
5-amino-2-chloro-N-(2,5-difluorophenyl)benzenesulfonamide
CID 29275941
2-amino-N-(5-chloro-2-fluorophenyl)-4-fluorobenzenesulfonamide
CID 43438207
N-(2,5-difluorophenyl)-3-fluorobenzenesulfonamide
CID 8500597
N-(5-chloro-2-fluorophenyl)-2,5-difluorobenzenesulfonamide
CID 9238961
3-amino-N-(2,5-difluorophenyl)-5-methylbenzenesulfonamide
CID 43256407
N-(5-amino-2-fluorophenyl)-2-chloro-5-fluorobenzenesulfonamide
CID 105399424
N-(2,5-difluorophenyl)-4-fluoro-2,6-dimethylbenzenesulfonamide
CID 107326617
3-[(2,5-difluorophenyl)sulfamoyl]pyridine-2-carbothioamide
CID 106596322

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(2,5-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide?
The IUPAC name of 5-amino-N-(2,5-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide (CID 113383113) is 5-amino-N-(2,5-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide.
What is the SMILES notation for 5-amino-N-(2,5-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide?
The canonical SMILES for 5-amino-N-(2,5-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide is Nc1nnc(S(=O)(=O)Nc2cc(F)ccc2F)s1.
What is the InChIKey of 5-amino-N-(2,5-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide?
The InChIKey is AGJRLQRDOQLJKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N4O2S2/c9-4-1-2-5(10)6(3-4)14-18(15,16)8-13-12-7(11)17-8/h1-3,14H,(H2,11,12).
What are the key properties of 5-amino-N-(2,5-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide?
5-amino-N-(2,5-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide has a molecular weight of 292.29 g/mol, XLogP of 1.20, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(2,5-difluorophenyl)-1,3,4-thiadiazole-2-sulfonamide is sourced from PubChem (CID 113383113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).