6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonamide

C14H12FN5O2S — CID 10172083

IUPAC6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonamide
SMILESCc1nc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cn2)n1
InChIInChI=1S/C14H12FN5O2S/c1-9-18-14(10-2-4-11(15)5-3-10)20(19-9)13-7-6-12(8-17-13)23(16,21)22/h2-8H,1H3,(H2,16,21,22)
InChIKeyCZOJQBPXAASNJW-UHFFFAOYSA-N
MW333.35 g/mol
LogP1.42
Rot. Bonds3

About 6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonamide

6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonamide (PubChem CID 10172083) has the molecular formula C14H12FN5O2S and a molecular weight of 333.35 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonamide.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonamide
PubChem CID10172083
Molecular FormulaC14H12FN5O2S
Molecular Weight333.35 g/mol
Exact Mass333.07
IUPAC Name6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonamide
SMILESCc1nc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cn2)n1
InChIInChI=1S/C14H12FN5O2S/c1-9-18-14(10-2-4-11(15)5-3-10)20(19-9)13-7-6-12(8-17-13)23(16,21)22/h2-8H,1H3,(H2,16,21,22)
InChIKeyCZOJQBPXAASNJW-UHFFFAOYSA-N
XLogP1.42
TPSA103.76 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.35
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[5-(4-bromophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide
CID 10150664
methanamine;5-methylsulfonyl-2-[5-phenyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine
CID 22226767
5-methyl-1-(5-sulfamoyl-2-pyridinyl)pyrazole-3-carboxylic acid
CID 52982933
2-[3-(difluoromethyl)-5-(4-fluorophenyl)pyrazol-1-yl]-5-methylsulfonylpyridine
CID 18624104
6-(4-amino-3,5-diethylpyrazol-1-yl)pyridine-3-sulfonamide
CID 82703257
6-[5-cyclohexyl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]pyridine-3-sulfonamide
CID 10215797
2-[5-(2,4-difluorophenyl)-3-(trifluoromethyl)-1,2,4-triazol-1-yl]-5-methylsulfonylpyridine
CID 10431304
5-(4-chlorophenyl)-1-(4-fluorophenyl)-3-methyl-1,2,4-triazole
CID 14531280
4-fluorobenzenesulfonamide;hydroiodide
CID 175106101
2-(4-fluorophenyl)-1,3-thiazole-5-sulfonamide
CID 167475514
6-pyrrolidin-1-ylpyridine-3-sulfonamide
CID 9115059
6-[4-(4-isocyanophenyl)-5-methyl-3-oxo-1H-pyrazol-2-yl]pyridine-3-sulfonamide
CID 168752717

Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonamide?
The IUPAC name of 6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonamide (CID 10172083) is 6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonamide.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonamide?
The canonical SMILES for 6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonamide is Cc1nc(-c2ccc(F)cc2)n(-c2ccc(S(N)(=O)=O)cn2)n1.
What is the InChIKey of 6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonamide?
The InChIKey is CZOJQBPXAASNJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FN5O2S/c1-9-18-14(10-2-4-11(15)5-3-10)20(19-9)13-7-6-12(8-17-13)23(16,21)22/h2-8H,1H3,(H2,16,21,22).
What are the key properties of 6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonamide?
6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonamide has a molecular weight of 333.35 g/mol, XLogP of 1.42, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonamide is sourced from PubChem (CID 10172083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).