3-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-1,2,4-triazole

C15H12BrN3O2S — CID 170537963

IUPAC3-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-1,2,4-triazole
SMILESCc1ccc(S(=O)(=O)n2cnc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C15H12BrN3O2S/c1-11-2-8-14(9-3-11)22(20,21)19-10-17-15(18-19)12-4-6-13(16)7-5-12/h2-10H,1H3
InChIKeyHJYZKAXQKOWAJO-UHFFFAOYSA-N
MW378.25 g/mol
LogP3.25
Rot. Bonds3

About 3-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-1,2,4-triazole

3-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-1,2,4-triazole (PubChem CID 170537963) has the molecular formula C15H12BrN3O2S and a molecular weight of 378.25 g/mol. Its IUPAC name is 3-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-1,2,4-triazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-1,2,4-triazole
PubChem CID170537963
Molecular FormulaC15H12BrN3O2S
Molecular Weight378.25 g/mol
Exact Mass376.98
IUPAC Name3-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-1,2,4-triazole
SMILESCc1ccc(S(=O)(=O)n2cnc(-c3ccc(Br)cc3)n2)cc1
InChIInChI=1S/C15H12BrN3O2S/c1-11-2-8-14(9-3-11)22(20,21)19-10-17-15(18-19)12-4-6-13(16)7-5-12/h2-10H,1H3
InChIKeyHJYZKAXQKOWAJO-UHFFFAOYSA-N
XLogP3.25
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.25
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-phenyl-1-(4-phenylphenyl)sulfonyl-1,2,4-triazole
CID 155213349
[4-[[3-(4-methoxyphenyl)-1,2,4-triazol-1-yl]sulfonyl]phenyl]methanol
CID 164807043
4-bromo-3-methyl-1-(4-methylphenyl)sulfonylpyrazole
CID 68743668
1-(benzenesulfonyl)-3-[4-(trifluoromethyl)phenyl]-1,2,4-triazole
CID 164925366
[4-[(3-pyridin-4-yl-1,2,4-triazol-1-yl)sulfonyl]phenyl]methanol
CID 164807054
1-(4-bromophenyl)sulfonyl-4-methylbenzene
CID 11426909
2-(4-methylphenyl)-1-(4-methylphenyl)sulfonylimidazole
CID 110537991
3-(4-bromophenyl)-5-(4-methylphenyl)sulfonyl-1,2,4-thiadiazole
CID 10992907
3,8-dibromo-5,10-bis-(4-methylphenyl)sulfonylindolo[3,2-b]indole
CID 139048804
1-(4-bromophenyl)sulfonyl-3-methylpyrrole
CID 69499935
5-(4-methylphenyl)-2-(4-methylphenyl)sulfonyl-1,2,4-triazol-3-amine
CID 828557
5-bromo-2-methyl-1-(4-methylphenyl)sulfonylbenzimidazole
CID 156524125

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-1,2,4-triazole?
The IUPAC name of 3-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-1,2,4-triazole (CID 170537963) is 3-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-1,2,4-triazole.
What is the SMILES notation for 3-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-1,2,4-triazole?
The canonical SMILES for 3-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-1,2,4-triazole is Cc1ccc(S(=O)(=O)n2cnc(-c3ccc(Br)cc3)n2)cc1.
What is the InChIKey of 3-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-1,2,4-triazole?
The InChIKey is HJYZKAXQKOWAJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O2S/c1-11-2-8-14(9-3-11)22(20,21)19-10-17-15(18-19)12-4-6-13(16)7-5-12/h2-10H,1H3.
What are the key properties of 3-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-1,2,4-triazole?
3-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-1,2,4-triazole has a molecular weight of 378.25 g/mol, XLogP of 3.25, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-1-(4-methylphenyl)sulfonyl-1,2,4-triazole is sourced from PubChem (CID 170537963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).