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

C9H8F2N4O2S2 — CID 107343891

IUPAC3-amino-2,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCc1nsc(NS(=O)(=O)c2ccc(F)c(N)c2F)n1
InChIInChI=1S/C9H8F2N4O2S2/c1-4-13-9(18-14-4)15-19(16,17)6-3-2-5(10)8(12)7(6)11/h2-3H,12H2,1H3,(H,13,14,15)
InChIKeyWELGUHCWYDNNLO-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.51
Rot. Bonds3

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

3-amino-2,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide (PubChem CID 107343891) has the molecular formula C9H8F2N4O2S2 and a molecular weight of 306.32 g/mol. Its IUPAC name is 3-amino-2,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name3-amino-2,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
PubChem CID107343891
Molecular FormulaC9H8F2N4O2S2
Molecular Weight306.32 g/mol
Exact Mass306.01
IUPAC Name3-amino-2,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
SMILESCc1nsc(NS(=O)(=O)c2ccc(F)c(N)c2F)n1
InChIInChI=1S/C9H8F2N4O2S2/c1-4-13-9(18-14-4)15-19(16,17)6-3-2-5(10)8(12)7(6)11/h2-3H,12H2,1H3,(H,13,14,15)
InChIKeyWELGUHCWYDNNLO-UHFFFAOYSA-N
XLogP1.51
TPSA97.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.51
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

3-amino-4-bromo-5-chloro-2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 103077729
4-(3-aminoprop-1-ynyl)-2-fluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 116529690
3-amino-5-chloro-2-methyl-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide
CID 114380311
3-amino-N-(5,6-dimethyl-1,2,4-triazin-3-yl)-2,4-difluorobenzenesulfonamide
CID 107343922
3-amino-2,4-difluoro-N-(5-methyl-2-pyridinyl)benzenesulfonamide
CID 107343103
3-amino-N-(3,5-difluorophenyl)-2,4-difluorobenzenesulfonamide
CID 107343056
3-amino-2,4-difluoro-N-(5-methyl-3-pyridinyl)benzenesulfonamide
CID 107584491
3-amino-N-(2,5-dimethylpyrazol-3-yl)-2,4-difluorobenzenesulfonamide
CID 107343064
3-amino-2,4-difluoro-N-(2,2,3,3-tetramethylcyclopropyl)benzenesulfonamide
CID 107343683
3-amino-N-(2,5-dichlorophenyl)-2,4-difluorobenzenesulfonamide
CID 107343077
N-(3-methyl-1,2,4-thiadiazol-5-yl)-1H-pyrazole-5-sulfonamide
CID 102693429
3-amino-N-(2-bromo-3-methylphenyl)-2,4-difluorobenzenesulfonamide
CID 107343733

Frequently Asked Questions

What is the IUPAC name of 3-amino-2,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The IUPAC name of 3-amino-2,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide (CID 107343891) is 3-amino-2,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 3-amino-2,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The canonical SMILES for 3-amino-2,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide is Cc1nsc(NS(=O)(=O)c2ccc(F)c(N)c2F)n1.
What is the InChIKey of 3-amino-2,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
The InChIKey is WELGUHCWYDNNLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4O2S2/c1-4-13-9(18-14-4)15-19(16,17)6-3-2-5(10)8(12)7(6)11/h2-3H,12H2,1H3,(H,13,14,15).
What are the key properties of 3-amino-2,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide?
3-amino-2,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide has a molecular weight of 306.32 g/mol, XLogP of 1.51, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-2,4-difluoro-N-(3-methyl-1,2,4-thiadiazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 107343891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).