5-(3-chlorophenyl)-1-(4-fluorophenyl)sulfonyl-3-methoxy-1,2,4-triazole

C15H11ClFN3O3S — CID 42730203

IUPAC5-(3-chlorophenyl)-1-(4-fluorophenyl)sulfonyl-3-methoxy-1,2,4-triazole
SMILESCOc1nc(-c2cccc(Cl)c2)n(S(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C15H11ClFN3O3S/c1-23-15-18-14(10-3-2-4-11(16)9-10)20(19-15)24(21,22)13-7-5-12(17)6-8-13/h2-9H,1H3
InChIKeySTVMPMFYAAJWDX-UHFFFAOYSA-N
MW367.79 g/mol
LogP2.98
Rot. Bonds4

About 5-(3-chlorophenyl)-1-(4-fluorophenyl)sulfonyl-3-methoxy-1,2,4-triazole

5-(3-chlorophenyl)-1-(4-fluorophenyl)sulfonyl-3-methoxy-1,2,4-triazole (PubChem CID 42730203) has the molecular formula C15H11ClFN3O3S and a molecular weight of 367.79 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-1-(4-fluorophenyl)sulfonyl-3-methoxy-1,2,4-triazole.

Molecular Properties

Compound Name5-(3-chlorophenyl)-1-(4-fluorophenyl)sulfonyl-3-methoxy-1,2,4-triazole
PubChem CID42730203
Molecular FormulaC15H11ClFN3O3S
Molecular Weight367.79 g/mol
Exact Mass367.02
IUPAC Name5-(3-chlorophenyl)-1-(4-fluorophenyl)sulfonyl-3-methoxy-1,2,4-triazole
SMILESCOc1nc(-c2cccc(Cl)c2)n(S(=O)(=O)c2ccc(F)cc2)n1
InChIInChI=1S/C15H11ClFN3O3S/c1-23-15-18-14(10-3-2-4-11(16)9-10)20(19-15)24(21,22)13-7-5-12(17)6-8-13/h2-9H,1H3
InChIKeySTVMPMFYAAJWDX-UHFFFAOYSA-N
XLogP2.98
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.79
LogP ≤ 52.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(benzenesulfonyl)-5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazole
CID 42730228
1-(4-chloro-3-nitrophenyl)sulfonyl-5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazole
CID 42730395
[5-(3-chlorophenyl)-3-methoxy-1,2,4-triazol-1-yl]-naphthalen-1-ylmethanone
CID 42730200
[5-(3-chlorophenyl)-3-(2-methylpropoxy)-1,2,4-triazol-1-yl]-(4-fluorophenyl)methanone
CID 1062023
5-(3-chlorophenyl)-3-[[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 42692236
1,4-bis[(4-fluorophenyl)sulfonyl]-3-methyl-5-phenylpyrazole
CID 163303734
1-(3-chlorophenyl)-4-(4-fluorophenyl)sulfonylpiperazine
CID 1068546
3-propan-2-yloxy-1-[3-(trifluoromethyl)phenyl]sulfonyl-5-(3,4,5-trimethoxyphenyl)-1,2,4-triazole
CID 42727485
1-(4-bromophenyl)sulfonyl-3-butoxy-5-(4-methoxyphenyl)-1,2,4-triazole
CID 42729690
3-(2-methylpropoxy)-5-phenyl-1-[3-(trifluoromethyl)phenyl]sulfonyl-1,2,4-triazole
CID 42729898
4-(3-chlorophenyl)-2-(4-fluorophenyl)-6-methylsulfonylpyrazolo[3,4-d]pyrimidin-3-amine
CID 42807583
3-(4-fluorophenyl)-1-(4-methylphenyl)sulfonylpyrazol-5-amine
CID 12531782

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-1-(4-fluorophenyl)sulfonyl-3-methoxy-1,2,4-triazole?
The IUPAC name of 5-(3-chlorophenyl)-1-(4-fluorophenyl)sulfonyl-3-methoxy-1,2,4-triazole (CID 42730203) is 5-(3-chlorophenyl)-1-(4-fluorophenyl)sulfonyl-3-methoxy-1,2,4-triazole.
What is the SMILES notation for 5-(3-chlorophenyl)-1-(4-fluorophenyl)sulfonyl-3-methoxy-1,2,4-triazole?
The canonical SMILES for 5-(3-chlorophenyl)-1-(4-fluorophenyl)sulfonyl-3-methoxy-1,2,4-triazole is COc1nc(-c2cccc(Cl)c2)n(S(=O)(=O)c2ccc(F)cc2)n1.
What is the InChIKey of 5-(3-chlorophenyl)-1-(4-fluorophenyl)sulfonyl-3-methoxy-1,2,4-triazole?
The InChIKey is STVMPMFYAAJWDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11ClFN3O3S/c1-23-15-18-14(10-3-2-4-11(16)9-10)20(19-15)24(21,22)13-7-5-12(17)6-8-13/h2-9H,1H3.
What are the key properties of 5-(3-chlorophenyl)-1-(4-fluorophenyl)sulfonyl-3-methoxy-1,2,4-triazole?
5-(3-chlorophenyl)-1-(4-fluorophenyl)sulfonyl-3-methoxy-1,2,4-triazole has a molecular weight of 367.79 g/mol, XLogP of 2.98, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-1-(4-fluorophenyl)sulfonyl-3-methoxy-1,2,4-triazole is sourced from PubChem (CID 42730203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).