2-chloro-4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide

C8H6ClFN4O2S — CID 25041015

IUPAC2-chloro-4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nn1cnnc1)c1ccc(F)cc1Cl
InChIInChI=1S/C8H6ClFN4O2S/c9-7-3-6(10)1-2-8(7)17(15,16)13-14-4-11-12-5-14/h1-5,13H
InChIKeyNXDAXANIPUEBIJ-UHFFFAOYSA-N
MW276.68 g/mol
LogP1.00
Rot. Bonds3

About 2-chloro-4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide

2-chloro-4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide (PubChem CID 25041015) has the molecular formula C8H6ClFN4O2S and a molecular weight of 276.68 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide
PubChem CID25041015
Molecular FormulaC8H6ClFN4O2S
Molecular Weight276.68 g/mol
Exact Mass275.99
IUPAC Name2-chloro-4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide
SMILESO=S(=O)(Nn1cnnc1)c1ccc(F)cc1Cl
InChIInChI=1S/C8H6ClFN4O2S/c9-7-3-6(10)1-2-8(7)17(15,16)13-14-4-11-12-5-14/h1-5,13H
InChIKeyNXDAXANIPUEBIJ-UHFFFAOYSA-N
XLogP1.00
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.68
LogP ≤ 51.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-Chloro-N-[1,2,4]triazol-4-yl-benzenesulfonamide
CID 647041
4-chloro-N-(4H-1,2,4-triazol-3-yl)benzenesulfonamide
CID 921839
N-[1,2,4]Triazol-4-yl-benzenesulfonamide
CID 555204
4-fluoro-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide
CID 2851327
2-chloro-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 71917723
4-Fluoro-N-1H-1,2,4-triazol-5-ylbenzenesulfonamide
CID 60384037
2,5-Dichloro-N-(4H-1,2,4-triazol-4-yl)benzenesulfonamide
CID 589498
N-(5-amino-1,2,4-triazol-3-yl)-2-chlorobenzenesulfonamide
CID 13772885
2,4-difluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 19683360
2,5-difluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 19683361
3,4-difluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide
CID 19683362
3,4-difluoro-N-(1H-1,2,4-triazol-5-yl)benzenesulfonamide
CID 25041212

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide (CID 25041015) is 2-chloro-4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide is O=S(=O)(Nn1cnnc1)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
The InChIKey is NXDAXANIPUEBIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6ClFN4O2S/c9-7-3-6(10)1-2-8(7)17(15,16)13-14-4-11-12-5-14/h1-5,13H.
What are the key properties of 2-chloro-4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide?
2-chloro-4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide has a molecular weight of 276.68 g/mol, XLogP of 1.00, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-fluoro-N-(1,2,4-triazol-4-yl)benzenesulfonamide is sourced from PubChem (CID 25041015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).