4-[5-(4-bromophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide

C15H13BrN4O2S — CID 10150664

IUPAC4-[5-(4-bromophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide
SMILESCc1nc(-c2ccc(Br)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C15H13BrN4O2S/c1-10-18-15(11-2-4-12(16)5-3-11)20(19-10)13-6-8-14(9-7-13)23(17,21)22/h2-9H,1H3,(H2,17,21,22)
InChIKeyUKARZINZOLGENK-UHFFFAOYSA-N
MW393.27 g/mol
LogP2.65
Rot. Bonds3

About 4-[5-(4-bromophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide

4-[5-(4-bromophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide (PubChem CID 10150664) has the molecular formula C15H13BrN4O2S and a molecular weight of 393.27 g/mol. Its IUPAC name is 4-[5-(4-bromophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-bromophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide
PubChem CID10150664
Molecular FormulaC15H13BrN4O2S
Molecular Weight393.27 g/mol
Exact Mass391.99
IUPAC Name4-[5-(4-bromophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide
SMILESCc1nc(-c2ccc(Br)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1
InChIInChI=1S/C15H13BrN4O2S/c1-10-18-15(11-2-4-12(16)5-3-11)20(19-10)13-6-8-14(9-7-13)23(17,21)22/h2-9H,1H3,(H2,17,21,22)
InChIKeyUKARZINZOLGENK-UHFFFAOYSA-N
XLogP2.65
TPSA90.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.27
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-[5-(4-bromophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(4-bromophenyl)-1,2,4-triazol-3-yl]benzenesulfonamide
CID 141417875
4-[3-methoxy-5-(4-methoxyphenyl)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 10316466
4-bromobenzenesulfonamide;ethane
CID 143929211
4-(5-phenyl-3-propan-2-ylsulfanyl-1,2,4-triazol-1-yl)benzenesulfonamide
CID 10362067
4-[4-bromo-5-(4-chlorophenyl)-3-methylpyrazol-1-yl]benzenesulfonamide
CID 23209697
6-[5-(4-fluorophenyl)-3-methyl-1,2,4-triazol-1-yl]pyridine-3-sulfonamide
CID 10172083
4-[5-pyridin-4-yl-3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 22226652
4-[3-(4-bromophenyl)-5-methyl-1,2-oxazol-4-yl]benzenesulfonamide
CID 10249970
4-[5-(4-methoxyphenyl)-3-(2,2,2-trifluoroethoxy)-1,2,4-triazol-1-yl]benzenesulfonamide
CID 10251963
4-[4-[2-acetyl-5-(4-bromophenyl)-3,4-dihydropyrazol-3-yl]-5-chloro-3-methylpyrazol-1-yl]benzenesulfonamide
CID 122184938
4-[3-(4-bromophenyl)-5-(2-hydrazinyl-2-oxoethyl)sulfanyl-1,2,4-triazol-4-yl]benzenesulfonamide
CID 166594897
4-(5-phenyltetrazol-1-yl)benzenesulfonamide
CID 57395676

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-bromophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-bromophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide (CID 10150664) is 4-[5-(4-bromophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-bromophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-bromophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide is Cc1nc(-c2ccc(Br)cc2)n(-c2ccc(S(N)(=O)=O)cc2)n1.
What is the InChIKey of 4-[5-(4-bromophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide?
The InChIKey is UKARZINZOLGENK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13BrN4O2S/c1-10-18-15(11-2-4-12(16)5-3-11)20(19-10)13-6-8-14(9-7-13)23(17,21)22/h2-9H,1H3,(H2,17,21,22).
What are the key properties of 4-[5-(4-bromophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide?
4-[5-(4-bromophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide has a molecular weight of 393.27 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-bromophenyl)-3-methyl-1,2,4-triazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 10150664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).