3-amino-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

C8H6F2N4O2S2 — CID 129251701

IUPAC3-amino-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESNc1cc(F)cc(S(=O)(=O)Nc2ncns2)c1F
InChIInChI=1S/C8H6F2N4O2S2/c9-4-1-5(11)7(10)6(2-4)18(15,16)14-8-12-3-13-17-8/h1-3H,11H2,(H,12,13,14)
InChIKeyASSTZIRGNHPDHX-UHFFFAOYSA-N
MW292.29 g/mol
LogP1.20
Rot. Bonds3

About 3-amino-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide

3-amino-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 129251701) has the molecular formula C8H6F2N4O2S2 and a molecular weight of 292.29 g/mol. Its IUPAC name is 3-amino-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID129251701
Molecular FormulaC8H6F2N4O2S2
Molecular Weight292.29 g/mol
Exact Mass291.99
IUPAC Name3-amino-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESNc1cc(F)cc(S(=O)(=O)Nc2ncns2)c1F
InChIInChI=1S/C8H6F2N4O2S2/c9-4-1-5(11)7(10)6(2-4)18(15,16)14-8-12-3-13-17-8/h1-3H,11H2,(H,12,13,14)
InChIKeyASSTZIRGNHPDHX-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

Computed Properties (RDKit)

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

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Related Compounds

2,3,4-trifluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 141365411
2,6-difluoro-3-methyl-4-(methylamino)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 155278638
4-(8-aminooctylamino)-5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 158367208
5-chloro-2-fluoro-4-[4-(hydroxyamino)butylamino]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 129258417
tert-butyl N-[2-chloro-5-fluoro-4-(1,2,4-thiadiazol-5-ylsulfamoyl)phenyl]-N-hydroxycarbamate
CID 170092063
2-amino-4-fluoro-N-(5-methyl-1,3-thiazol-2-yl)benzenesulfonamide
CID 28548844
4-[2-(2-amino-4-pyridinyl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716313
4-[2-(6-amino-2-pyridinyl)-4-chlorophenoxy]-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71719317
4-[2-(6-amino-2-pyridinyl)-4-chlorophenoxy]-5-chloro-2-fluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 71716293
5-chloro-2-fluoro-4-(2-piperidin-2-ylethylamino)-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 134477090
5-chloro-2-fluoro-4-[4-[2-(propylamino)ethylamino]butylamino]-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 129258459
N-[2-(3,5-difluorophenyl)ethyl]-1,2,4-thiadiazol-5-amine
CID 65273852

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-amino-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 129251701) is 3-amino-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is Nc1cc(F)cc(S(=O)(=O)Nc2ncns2)c1F.
What is the InChIKey of 3-amino-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is ASSTZIRGNHPDHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6F2N4O2S2/c9-4-1-5(11)7(10)6(2-4)18(15,16)14-8-12-3-13-17-8/h1-3H,11H2,(H,12,13,14).
What are the key properties of 3-amino-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide?
3-amino-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide 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 3-amino-2,5-difluoro-N-(1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 129251701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).