1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole

C15H12ClN3O2S2 — CID 1051125

IUPAC1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole
SMILESCSc1nc(-c2ccc(Cl)cc2)nn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12ClN3O2S2/c1-22-15-17-14(11-7-9-12(16)10-8-11)18-19(15)23(20,21)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyWUOGQGGQBXISOE-UHFFFAOYSA-N
MW365.87 g/mol
LogP3.56
Rot. Bonds4

About 1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole

1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole (PubChem CID 1051125) has the molecular formula C15H12ClN3O2S2 and a molecular weight of 365.87 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole
PubChem CID1051125
Molecular FormulaC15H12ClN3O2S2
Molecular Weight365.87 g/mol
Exact Mass365.01
IUPAC Name1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole
SMILESCSc1nc(-c2ccc(Cl)cc2)nn1S(=O)(=O)c1ccccc1
InChIInChI=1S/C15H12ClN3O2S2/c1-22-15-17-14(11-7-9-12(16)10-8-11)18-19(15)23(20,21)13-5-3-2-4-6-13/h2-10H,1H3
InChIKeyWUOGQGGQBXISOE-UHFFFAOYSA-N
XLogP3.56
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.87
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methylphenyl)sulfonyl-3,5-diphenyl-1,2,4-triazole
CID 86233643
3-(4-chlorophenyl)-N-methyl-5-methylsulfanyl-N-phenyl-1,2,4-triazole-1-carboxamide
CID 11210560
2-(4-chlorophenyl)sulfonyl-N-[(4-fluorophenyl)methyl]-5-(4-methylphenyl)-1,2,4-triazol-3-amine
CID 3287361
5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine
CID 828557
3-(4-chlorophenyl)-5-methylsulfanyl-4-phenyl-1,2,4-triazole
CID 47003671
7-(benzenesulfonyl)-4-chloro-6-methyl-2-phenylpyrrolo[2,3-d]pyrimidine
CID 59128311
1-(benzenesulfonyl)-2,3-bis(4-chlorophenyl)indole
CID 15473667
N-[5-(4-chlorophenyl)-3-(2-methylsulfanylphenyl)pyrazol-1-yl]benzenesulfonamide
CID 23215863
5-[1-(benzenesulfonyl)pyrrol-3-yl]-2-methylsulfanylpyrimidine
CID 15150594
3-(4-chlorophenyl)-5-(2-methylpropyl)-1-phenyl-1,2,4-triazole
CID 135019292
1-(benzenesulfonyl)-5-(3-chlorophenyl)-3-ethoxy-1,2,4-triazole
CID 42730228
5-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 1456856

Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole?
The IUPAC name of 1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole (CID 1051125) is 1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole.
What is the SMILES notation for 1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole?
The canonical SMILES for 1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole is CSc1nc(-c2ccc(Cl)cc2)nn1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole?
The InChIKey is WUOGQGGQBXISOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S2/c1-22-15-17-14(11-7-9-12(16)10-8-11)18-19(15)23(20,21)13-5-3-2-4-6-13/h2-10H,1H3.
What are the key properties of 1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole?
1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole has a molecular weight of 365.87 g/mol, XLogP of 3.56, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-3-(4-chlorophenyl)-5-methylsulfanyl-1,2,4-triazole is sourced from PubChem (CID 1051125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).