4-[5-(4-bromophenyl)-3-[(4-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide

C23H20BrN3O2S — CID 56665370

IUPAC4-[5-(4-bromophenyl)-3-[(4-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(Cc2cc(-c3ccc(Br)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C23H20BrN3O2S/c1-16-2-4-17(5-3-16)14-20-15-23(18-6-8-19(24)9-7-18)27(26-20)21-10-12-22(13-11-21)30(25,28)29/h2-13,15H,14H2,1H3,(H2,25,28,29)
InChIKeySLCXRNIJMGDJRO-UHFFFAOYSA-N
MW482.40 g/mol
LogP4.85
Rot. Bonds5

About 4-[5-(4-bromophenyl)-3-[(4-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide

4-[5-(4-bromophenyl)-3-[(4-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide (PubChem CID 56665370) has the molecular formula C23H20BrN3O2S and a molecular weight of 482.40 g/mol. Its IUPAC name is 4-[5-(4-bromophenyl)-3-[(4-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-bromophenyl)-3-[(4-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide
PubChem CID56665370
Molecular FormulaC23H20BrN3O2S
Molecular Weight482.40 g/mol
Exact Mass481.05
IUPAC Name4-[5-(4-bromophenyl)-3-[(4-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide
SMILESCc1ccc(Cc2cc(-c3ccc(Br)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1
InChIInChI=1S/C23H20BrN3O2S/c1-16-2-4-17(5-3-16)14-20-15-23(18-6-8-19(24)9-7-18)27(26-20)21-10-12-22(13-11-21)30(25,28)29/h2-13,15H,14H2,1H3,(H2,25,28,29)
InChIKeySLCXRNIJMGDJRO-UHFFFAOYSA-N
XLogP4.85
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.40
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-bromophenyl)-3-[(4-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-bromophenyl)-3-[(4-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide (CID 56665370) is 4-[5-(4-bromophenyl)-3-[(4-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-bromophenyl)-3-[(4-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-bromophenyl)-3-[(4-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide is Cc1ccc(Cc2cc(-c3ccc(Br)cc3)n(-c3ccc(S(N)(=O)=O)cc3)n2)cc1.
What is the InChIKey of 4-[5-(4-bromophenyl)-3-[(4-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide?
The InChIKey is SLCXRNIJMGDJRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O2S/c1-16-2-4-17(5-3-16)14-20-15-23(18-6-8-19(24)9-7-18)27(26-20)21-10-12-22(13-11-21)30(25,28)29/h2-13,15H,14H2,1H3,(H2,25,28,29).
What are the key properties of 4-[5-(4-bromophenyl)-3-[(4-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide?
4-[5-(4-bromophenyl)-3-[(4-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide has a molecular weight of 482.40 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-bromophenyl)-3-[(4-methylphenyl)methyl]pyrazol-1-yl]benzenesulfonamide is sourced from PubChem (CID 56665370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).