2,6-difluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide

C9H8F2N4O2S2 — CID 3863299

IUPAC2,6-difluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCSc1n[nH]c(NS(=O)(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C9H8F2N4O2S2/c1-18-9-12-8(13-14-9)15-19(16,17)7-5(10)3-2-4-6(7)11/h2-4H,1H3,(H2,12,13,14,15)
InChIKeyWZYLGACZKHWVCW-UHFFFAOYSA-N
MW306.32 g/mol
LogP1.61
Rot. Bonds4

About 2,6-difluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide

2,6-difluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide (PubChem CID 3863299) has the molecular formula C9H8F2N4O2S2 and a molecular weight of 306.32 g/mol. Its IUPAC name is 2,6-difluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name2,6-difluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide
PubChem CID3863299
Molecular FormulaC9H8F2N4O2S2
Molecular Weight306.32 g/mol
Exact Mass306.01
IUPAC Name2,6-difluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCSc1n[nH]c(NS(=O)(=O)c2c(F)cccc2F)n1
InChIInChI=1S/C9H8F2N4O2S2/c1-18-9-12-8(13-14-9)15-19(16,17)7-5(10)3-2-4-6(7)11/h2-4H,1H3,(H2,12,13,14,15)
InChIKeyWZYLGACZKHWVCW-UHFFFAOYSA-N
XLogP1.61
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 51.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2,6-difluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(5-Amino-1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 13772883
N1-[1-methyl-5-(methylthio)-1H-1,2,4-triazol-3-yl]-2,4-difluorobenzene-1-sulfonamide
CID 2805442
3-fluoro-N-(3-propan-2-ylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 72126338
4-Fluoro-N-1H-1,2,4-triazol-5-ylbenzenesulfonamide
CID 60384037
N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-4-fluorobenzenesulfonamide
CID 3425929
3-chloro-4-fluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 3835211
N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-5-fluoro-2-methylbenzenesulfonamide
CID 3857522
N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3,5-bis(trifluoromethyl)benzenesulfonamide
CID 3870708
N-(3-benzylsulfanyl-1H-1,2,4-triazol-5-yl)-2,3,4-trifluorobenzenesulfonamide
CID 3875811
N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)-3-(trifluoromethyl)benzenesulfonamide
CID 5159135
2-fluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 25037840
3,4-difluoro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 25041212

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The IUPAC name of 2,6-difluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide (CID 3863299) is 2,6-difluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 2,6-difluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The canonical SMILES for 2,6-difluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide is CSc1n[nH]c(NS(=O)(=O)c2c(F)cccc2F)n1.
What is the InChIKey of 2,6-difluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The InChIKey is WZYLGACZKHWVCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8F2N4O2S2/c1-18-9-12-8(13-14-9)15-19(16,17)7-5(10)3-2-4-6(7)11/h2-4H,1H3,(H2,12,13,14,15).
What are the key properties of 2,6-difluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide?
2,6-difluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide has a molecular weight of 306.32 g/mol, XLogP of 1.61, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-N-(3-methylsulfanyl-1H-1,2,4-triazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 3863299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).