4-[1-benzyl-5-cyano-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide

C24H20N4O2S — CID 19355971

IUPAC4-[1-benzyl-5-cyano-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)nn(Cc3ccccc3)c2C#N)cc1
InChIInChI=1S/C24H20N4O2S/c1-17-7-9-19(10-8-17)23-22(15-25)28(16-18-5-3-2-4-6-18)27-24(23)20-11-13-21(14-12-20)31(26,29)30/h2-14H,16H2,1H3,(H2,26,29,30)
InChIKeyZXFRPGRDLMPIBD-UHFFFAOYSA-N
MW428.52 g/mol
LogP4.09
Rot. Bonds5

About 4-[1-benzyl-5-cyano-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide

4-[1-benzyl-5-cyano-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide (PubChem CID 19355971) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is 4-[1-benzyl-5-cyano-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide.

Molecular Properties

Compound Name4-[1-benzyl-5-cyano-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
PubChem CID19355971
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC Name4-[1-benzyl-5-cyano-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide
SMILESCc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)nn(Cc3ccccc3)c2C#N)cc1
InChIInChI=1S/C24H20N4O2S/c1-17-7-9-19(10-8-17)23-22(15-25)28(16-18-5-3-2-4-6-18)27-24(23)20-11-13-21(14-12-20)31(26,29)30/h2-14H,16H2,1H3,(H2,26,29,30)
InChIKeyZXFRPGRDLMPIBD-UHFFFAOYSA-N
XLogP4.09
TPSA101.77 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.52
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[1-benzyl-5-cyano-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
The IUPAC name of 4-[1-benzyl-5-cyano-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide (CID 19355971) is 4-[1-benzyl-5-cyano-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide.
What is the SMILES notation for 4-[1-benzyl-5-cyano-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
The canonical SMILES for 4-[1-benzyl-5-cyano-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide is Cc1ccc(-c2c(-c3ccc(S(N)(=O)=O)cc3)nn(Cc3ccccc3)c2C#N)cc1.
What is the InChIKey of 4-[1-benzyl-5-cyano-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
The InChIKey is ZXFRPGRDLMPIBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S/c1-17-7-9-19(10-8-17)23-22(15-25)28(16-18-5-3-2-4-6-18)27-24(23)20-11-13-21(14-12-20)31(26,29)30/h2-14H,16H2,1H3,(H2,26,29,30).
What are the key properties of 4-[1-benzyl-5-cyano-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide?
4-[1-benzyl-5-cyano-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide has a molecular weight of 428.52 g/mol, XLogP of 4.09, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-benzyl-5-cyano-4-(4-methylphenyl)pyrazol-3-yl]benzenesulfonamide is sourced from PubChem (CID 19355971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).