4-[2-(4-bromophenyl)-1,2,4-triazol-3-yl]benzenesulfonamide

C14H11BrN4O2S — CID 141417875

IUPAC4-[2-(4-bromophenyl)-1,2,4-triazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ncnn2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H11BrN4O2S/c15-11-3-5-12(6-4-11)19-14(17-9-18-19)10-1-7-13(8-2-10)22(16,20)21/h1-9H,(H2,16,20,21)
InChIKeyZUIRHZZPYNONNM-UHFFFAOYSA-N
MW379.24 g/mol
LogP2.34
Rot. Bonds3

About 4-[2-(4-bromophenyl)-1,2,4-triazol-3-yl]benzenesulfonamide

4-[2-(4-bromophenyl)-1,2,4-triazol-3-yl]benzenesulfonamide (PubChem CID 141417875) has the molecular formula C14H11BrN4O2S and a molecular weight of 379.24 g/mol. Its IUPAC name is 4-[2-(4-bromophenyl)-1,2,4-triazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-(4-bromophenyl)-1,2,4-triazol-3-yl]benzenesulfonamide
PubChem CID141417875
Molecular FormulaC14H11BrN4O2S
Molecular Weight379.24 g/mol
Exact Mass377.98
IUPAC Name4-[2-(4-bromophenyl)-1,2,4-triazol-3-yl]benzenesulfonamide
SMILESNS(=O)(=O)c1ccc(-c2ncnn2-c2ccc(Br)cc2)cc1
InChIInChI=1S/C14H11BrN4O2S/c15-11-3-5-12(6-4-11)19-14(17-9-18-19)10-1-7-13(8-2-10)22(16,20)21/h1-9H,(H2,16,20,21)
InChIKeyZUIRHZZPYNONNM-UHFFFAOYSA-N
XLogP2.34
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.24
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-bromophenyl)-1,2,4-triazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[2-(4-bromophenyl)-1,2,4-triazol-3-yl]benzenesulfonamide (CID 141417875) is 4-[2-(4-bromophenyl)-1,2,4-triazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[2-(4-bromophenyl)-1,2,4-triazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[2-(4-bromophenyl)-1,2,4-triazol-3-yl]benzenesulfonamide is NS(=O)(=O)c1ccc(-c2ncnn2-c2ccc(Br)cc2)cc1.
What is the InChIKey of 4-[2-(4-bromophenyl)-1,2,4-triazol-3-yl]benzenesulfonamide?
The InChIKey is ZUIRHZZPYNONNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN4O2S/c15-11-3-5-12(6-4-11)19-14(17-9-18-19)10-1-7-13(8-2-10)22(16,20)21/h1-9H,(H2,16,20,21).
What are the key properties of 4-[2-(4-bromophenyl)-1,2,4-triazol-3-yl]benzenesulfonamide?
4-[2-(4-bromophenyl)-1,2,4-triazol-3-yl]benzenesulfonamide has a molecular weight of 379.24 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-bromophenyl)-1,2,4-triazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 141417875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).