4-(3-bromophenyl)-1-(4-methoxyphenyl)sulfonyltriazole

C15H12BrN3O3S — CID 142733860

IUPAC4-(3-bromophenyl)-1-(4-methoxyphenyl)sulfonyltriazole
SMILESCOc1ccc(S(=O)(=O)n2cc(-c3cccc(Br)c3)nn2)cc1
InChIInChI=1S/C15H12BrN3O3S/c1-22-13-5-7-14(8-6-13)23(20,21)19-10-15(17-18-19)11-3-2-4-12(16)9-11/h2-10H,1H3
InChIKeyLMZHHZUOEGJQGC-UHFFFAOYSA-N
MW394.25 g/mol
LogP2.95
Rot. Bonds4

About 4-(3-bromophenyl)-1-(4-methoxyphenyl)sulfonyltriazole

4-(3-bromophenyl)-1-(4-methoxyphenyl)sulfonyltriazole (PubChem CID 142733860) has the molecular formula C15H12BrN3O3S and a molecular weight of 394.25 g/mol. Its IUPAC name is 4-(3-bromophenyl)-1-(4-methoxyphenyl)sulfonyltriazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-1-(4-methoxyphenyl)sulfonyltriazole
PubChem CID142733860
Molecular FormulaC15H12BrN3O3S
Molecular Weight394.25 g/mol
Exact Mass392.98
IUPAC Name4-(3-bromophenyl)-1-(4-methoxyphenyl)sulfonyltriazole
SMILESCOc1ccc(S(=O)(=O)n2cc(-c3cccc(Br)c3)nn2)cc1
InChIInChI=1S/C15H12BrN3O3S/c1-22-13-5-7-14(8-6-13)23(20,21)19-10-15(17-18-19)11-3-2-4-12(16)9-11/h2-10H,1H3
InChIKeyLMZHHZUOEGJQGC-UHFFFAOYSA-N
XLogP2.95
TPSA74.08 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.25
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-(4-methoxyphenyl)sulfonyl-4-(3-methylphenyl)triazole
CID 142733865
4-(3-methylphenyl)-1-(4-methylphenyl)sulfonyltriazole
CID 142734107
1-(4-fluorophenyl)sulfonyl-4-phenyltriazole
CID 51350838
1-(4-methoxyphenyl)sulfonyl-4-(4-pentylphenyl)triazole;1-naphthalen-2-ylsulfonyl-4-(2-phenylethyl)triazole
CID 165014400
4-(3-bromophenyl)-6-(4-methoxyphenyl)pyrimidin-2-amine
CID 75359610
2-(3-bromophenyl)-6-[2-[6-(3-bromophenyl)-4-methoxy-2-pyridinyl]propan-2-yl]-4-methoxypyridine
CID 59342158
4-(4-fluorophenyl)-1-(4-methylphenyl)sulfonyltriazole
CID 71623276
4-(4-tert-butylphenyl)-1-(4-methylphenyl)sulfonyltriazole
CID 171851935
3-(3-bromophenyl)-6-(4-methoxyphenyl)-1,2,4-triazine
CID 156613211
4-[5-bromo-1-(4-methoxyphenyl)sulfonylindol-3-yl]pyrimidin-2-amine
CID 118737083
1-bromo-3-(3-methoxyphenyl)benzene
CID 2757034
3-(3-bromophenyl)-5-(4-methoxyphenyl)-1-phenylpyrazole
CID 71713430

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-1-(4-methoxyphenyl)sulfonyltriazole?
The IUPAC name of 4-(3-bromophenyl)-1-(4-methoxyphenyl)sulfonyltriazole (CID 142733860) is 4-(3-bromophenyl)-1-(4-methoxyphenyl)sulfonyltriazole.
What is the SMILES notation for 4-(3-bromophenyl)-1-(4-methoxyphenyl)sulfonyltriazole?
The canonical SMILES for 4-(3-bromophenyl)-1-(4-methoxyphenyl)sulfonyltriazole is COc1ccc(S(=O)(=O)n2cc(-c3cccc(Br)c3)nn2)cc1.
What is the InChIKey of 4-(3-bromophenyl)-1-(4-methoxyphenyl)sulfonyltriazole?
The InChIKey is LMZHHZUOEGJQGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3O3S/c1-22-13-5-7-14(8-6-13)23(20,21)19-10-15(17-18-19)11-3-2-4-12(16)9-11/h2-10H,1H3.
What are the key properties of 4-(3-bromophenyl)-1-(4-methoxyphenyl)sulfonyltriazole?
4-(3-bromophenyl)-1-(4-methoxyphenyl)sulfonyltriazole has a molecular weight of 394.25 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-1-(4-methoxyphenyl)sulfonyltriazole is sourced from PubChem (CID 142733860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).