5-fluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide

C9H9FN4O2S — CID 55152224

IUPAC5-fluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C9H9FN4O2S/c1-6-2-3-7(10)4-8(6)17(15,16)14-9-11-5-12-13-9/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyFDGWFWZISQJLAD-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.05
Rot. Bonds3

About 5-fluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide

5-fluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (PubChem CID 55152224) has the molecular formula C9H9FN4O2S and a molecular weight of 256.26 g/mol. Its IUPAC name is 5-fluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.

Molecular Properties

Compound Name5-fluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
PubChem CID55152224
Molecular FormulaC9H9FN4O2S
Molecular Weight256.26 g/mol
Exact Mass256.04
IUPAC Name5-fluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
SMILESCc1ccc(F)cc1S(=O)(=O)Nc1ncn[nH]1
InChIInChI=1S/C9H9FN4O2S/c1-6-2-3-7(10)4-8(6)17(15,16)14-9-11-5-12-13-9/h2-5H,1H3,(H2,11,12,13,14)
InChIKeyFDGWFWZISQJLAD-UHFFFAOYSA-N
XLogP1.05
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-Methyl-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide
CID 561405
1-(p-Toluenesulfonyl)-1,2,4-triazole
CID 3505424
1-phenyl-N-(1,2,4-triazol-4-yl)methanesulfonamide
CID 669300
2,4,6-trimethyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 2147927
2,4,6-trimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 3113465
2,4,5-trimethyl-N-(1H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 6462308
4-fluoro-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide
CID 2851327
5-(((((4-methylphenyl)sulfonyl)amino)carbonyl)amino)-1H-1,2,4-triazole
CID 328629
4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 71969278
N-(5-amino-1H-1,2,4-triazol-3-yl)-4-methylbenzenesulfonamide
CID 13772887
2,5-dimethyl-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 797067
Cambridge id 6680415
CID 23684918

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The IUPAC name of 5-fluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide (CID 55152224) is 5-fluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide.
What is the SMILES notation for 5-fluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The canonical SMILES for 5-fluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is Cc1ccc(F)cc1S(=O)(=O)Nc1ncn[nH]1.
What is the InChIKey of 5-fluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
The InChIKey is FDGWFWZISQJLAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9FN4O2S/c1-6-2-3-7(10)4-8(6)17(15,16)14-9-11-5-12-13-9/h2-5H,1H3,(H2,11,12,13,14).
What are the key properties of 5-fluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide?
5-fluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide has a molecular weight of 256.26 g/mol, XLogP of 1.05, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-methyl-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide is sourced from PubChem (CID 55152224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).