5-methyl-1-phenyl-N,N-bis(pyridin-2-ylmethyl)pyrazole-4-sulfonamide

C22H21N5O2S — CID 2738467

IUPAC5-methyl-1-phenyl-N,N-bis(pyridin-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(Cc2ccccn2)Cc2ccccn2)cnn1-c1ccccc1
InChIInChI=1S/C22H21N5O2S/c1-18-22(15-25-27(18)21-11-3-2-4-12-21)30(28,29)26(16-19-9-5-7-13-23-19)17-20-10-6-8-14-24-20/h2-15H,16-17H2,1H3
InChIKeyZYCOJTKJVIUTAU-UHFFFAOYSA-N
MW419.51 g/mol
LogP3.36
Rot. Bonds7

About 5-methyl-1-phenyl-N,N-bis(pyridin-2-ylmethyl)pyrazole-4-sulfonamide

5-methyl-1-phenyl-N,N-bis(pyridin-2-ylmethyl)pyrazole-4-sulfonamide (PubChem CID 2738467) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is 5-methyl-1-phenyl-N,N-bis(pyridin-2-ylmethyl)pyrazole-4-sulfonamide.

Molecular Properties

Compound Name5-methyl-1-phenyl-N,N-bis(pyridin-2-ylmethyl)pyrazole-4-sulfonamide
PubChem CID2738467
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC Name5-methyl-1-phenyl-N,N-bis(pyridin-2-ylmethyl)pyrazole-4-sulfonamide
SMILESCc1c(S(=O)(=O)N(Cc2ccccn2)Cc2ccccn2)cnn1-c1ccccc1
InChIInChI=1S/C22H21N5O2S/c1-18-22(15-25-27(18)21-11-3-2-4-12-21)30(28,29)26(16-19-9-5-7-13-23-19)17-20-10-6-8-14-24-20/h2-15H,16-17H2,1H3
InChIKeyZYCOJTKJVIUTAU-UHFFFAOYSA-N
XLogP3.36
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-1-phenyl-N,N-bis(pyridin-2-ylmethyl)pyrazole-4-sulfonamide?
The IUPAC name of 5-methyl-1-phenyl-N,N-bis(pyridin-2-ylmethyl)pyrazole-4-sulfonamide (CID 2738467) is 5-methyl-1-phenyl-N,N-bis(pyridin-2-ylmethyl)pyrazole-4-sulfonamide.
What is the SMILES notation for 5-methyl-1-phenyl-N,N-bis(pyridin-2-ylmethyl)pyrazole-4-sulfonamide?
The canonical SMILES for 5-methyl-1-phenyl-N,N-bis(pyridin-2-ylmethyl)pyrazole-4-sulfonamide is Cc1c(S(=O)(=O)N(Cc2ccccn2)Cc2ccccn2)cnn1-c1ccccc1.
What is the InChIKey of 5-methyl-1-phenyl-N,N-bis(pyridin-2-ylmethyl)pyrazole-4-sulfonamide?
The InChIKey is ZYCOJTKJVIUTAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c1-18-22(15-25-27(18)21-11-3-2-4-12-21)30(28,29)26(16-19-9-5-7-13-23-19)17-20-10-6-8-14-24-20/h2-15H,16-17H2,1H3.
What are the key properties of 5-methyl-1-phenyl-N,N-bis(pyridin-2-ylmethyl)pyrazole-4-sulfonamide?
5-methyl-1-phenyl-N,N-bis(pyridin-2-ylmethyl)pyrazole-4-sulfonamide has a molecular weight of 419.51 g/mol, XLogP of 3.36, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-1-phenyl-N,N-bis(pyridin-2-ylmethyl)pyrazole-4-sulfonamide is sourced from PubChem (CID 2738467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).