4-[5-(4-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide

C26H23N3O3S — CID 122192039

IUPAC4-[5-(4-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C26H23N3O3S/c1-32-21-13-9-19(10-14-21)25-17-26(24-8-4-6-18-5-2-3-7-23(18)24)29(28-25)20-11-15-22(16-12-20)33(27,30)31/h2-16,26H,17H2,1H3,(H2,27,30,31)
InChIKeyDLFXYHXMQWTTSB-UHFFFAOYSA-N
MW457.56 g/mol
LogP4.85
Rot. Bonds5

About 4-[5-(4-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide

4-[5-(4-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide (PubChem CID 122192039) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is 4-[5-(4-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[5-(4-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
PubChem CID122192039
Molecular FormulaC26H23N3O3S
Molecular Weight457.56 g/mol
Exact Mass457.15
IUPAC Name4-[5-(4-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide
SMILESCOc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3cccc4ccccc34)C2)cc1
InChIInChI=1S/C26H23N3O3S/c1-32-21-13-9-19(10-14-21)25-17-26(24-8-4-6-18-5-2-3-7-23(18)24)29(28-25)20-11-15-22(16-12-20)33(27,30)31/h2-16,26H,17H2,1H3,(H2,27,30,31)
InChIKeyDLFXYHXMQWTTSB-UHFFFAOYSA-N
XLogP4.85
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The IUPAC name of 4-[5-(4-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide (CID 122192039) is 4-[5-(4-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide.
What is the SMILES notation for 4-[5-(4-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The canonical SMILES for 4-[5-(4-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide is COc1ccc(C2=NN(c3ccc(S(N)(=O)=O)cc3)C(c3cccc4ccccc34)C2)cc1.
What is the InChIKey of 4-[5-(4-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
The InChIKey is DLFXYHXMQWTTSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3S/c1-32-21-13-9-19(10-14-21)25-17-26(24-8-4-6-18-5-2-3-7-23(18)24)29(28-25)20-11-15-22(16-12-20)33(27,30)31/h2-16,26H,17H2,1H3,(H2,27,30,31).
What are the key properties of 4-[5-(4-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide?
4-[5-(4-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide has a molecular weight of 457.56 g/mol, XLogP of 4.85, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-methoxyphenyl)-3-naphthalen-1-yl-3,4-dihydropyrazol-2-yl]benzenesulfonamide is sourced from PubChem (CID 122192039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).