2-chloro-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide

C9H8ClFN4O2S — CID 71917723

IUPAC2-chloro-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCn1ncnc1NS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C9H8ClFN4O2S/c1-15-9(12-5-13-15)14-18(16,17)8-3-2-6(11)4-7(8)10/h2-5H,1H3,(H,12,13,14)
InChIKeyCZKVJIAAYLUJNT-UHFFFAOYSA-N
MW290.71 g/mol
LogP1.41
Rot. Bonds3

About 2-chloro-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide

2-chloro-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide (PubChem CID 71917723) has the molecular formula C9H8ClFN4O2S and a molecular weight of 290.71 g/mol. Its IUPAC name is 2-chloro-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide.

Molecular Properties

Compound Name2-chloro-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
PubChem CID71917723
Molecular FormulaC9H8ClFN4O2S
Molecular Weight290.71 g/mol
Exact Mass290.00
IUPAC Name2-chloro-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
SMILESCn1ncnc1NS(=O)(=O)c1ccc(F)cc1Cl
InChIInChI=1S/C9H8ClFN4O2S/c1-15-9(12-5-13-15)14-18(16,17)8-3-2-6(11)4-7(8)10/h2-5H,1H3,(H,12,13,14)
InChIKeyCZKVJIAAYLUJNT-UHFFFAOYSA-N
XLogP1.41
TPSA76.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.71
LogP ≤ 51.41
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
4-Chloro-N-(2-[1,2,4]triazol-1-yl-propyl)-benzenesulfonamide
CID 6499841
N-[1-[(4-chlorophenyl)sulfonyl]-3-(dimethylamino)-1H-1,2,4-triazol-5-yl]-N,N-dimethylamine
CID 3307856
1-(phenylsulfonyl)-1H-1,2,4-triazol-3-amine
CID 697181
N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 71917724
4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 71969278
2-chloro-6-fluoro-N-methyl-N-[(2-methyl-1,2,4-triazol-3-yl)methyl]benzenesulfonamide
CID 75478589
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
N-[1-(1,2,4-triazol-2-yl)-2,2,2-trichloroethyl]-4-chlorobenzenesulfonamide
CID 129740497
3-chloro-4-fluoro-N-(1-methyl-5-methylsulfanyl-1,2,4-triazol-3-yl)benzenesulfonamide
CID 25040977

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The IUPAC name of 2-chloro-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide (CID 71917723) is 2-chloro-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide.
What is the SMILES notation for 2-chloro-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The canonical SMILES for 2-chloro-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide is Cn1ncnc1NS(=O)(=O)c1ccc(F)cc1Cl.
What is the InChIKey of 2-chloro-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide?
The InChIKey is CZKVJIAAYLUJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8ClFN4O2S/c1-15-9(12-5-13-15)14-18(16,17)8-3-2-6(11)4-7(8)10/h2-5H,1H3,(H,12,13,14).
What are the key properties of 2-chloro-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide?
2-chloro-4-fluoro-N-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide has a molecular weight of 290.71 g/mol, XLogP of 1.41, 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-(2-methyl-1,2,4-triazol-3-yl)benzenesulfonamide is sourced from PubChem (CID 71917723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).