4-pyrazol-1-yl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide

C21H19N5O2S — CID 2738475

IUPAC4-pyrazol-1-yl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(-n2cccn2)cc1)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C21H19N5O2S/c27-29(28,21-10-8-20(9-11-21)26-15-5-14-24-26)25(16-18-6-1-3-12-22-18)17-19-7-2-4-13-23-19/h1-15H,16-17H2
InChIKeyYGIOPVZLJXHPMK-UHFFFAOYSA-N
MW405.48 g/mol
LogP3.05
Rot. Bonds7

About 4-pyrazol-1-yl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide

4-pyrazol-1-yl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide (PubChem CID 2738475) has the molecular formula C21H19N5O2S and a molecular weight of 405.48 g/mol. Its IUPAC name is 4-pyrazol-1-yl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-pyrazol-1-yl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
PubChem CID2738475
Molecular FormulaC21H19N5O2S
Molecular Weight405.48 g/mol
Exact Mass405.13
IUPAC Name4-pyrazol-1-yl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide
SMILESO=S(=O)(c1ccc(-n2cccn2)cc1)N(Cc1ccccn1)Cc1ccccn1
InChIInChI=1S/C21H19N5O2S/c27-29(28,21-10-8-20(9-11-21)26-15-5-14-24-26)25(16-18-6-1-3-12-22-18)17-19-7-2-4-13-23-19/h1-15H,16-17H2
InChIKeyYGIOPVZLJXHPMK-UHFFFAOYSA-N
XLogP3.05
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.48
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-pyrazol-1-yl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 4-pyrazol-1-yl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide (CID 2738475) is 4-pyrazol-1-yl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 4-pyrazol-1-yl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 4-pyrazol-1-yl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide is O=S(=O)(c1ccc(-n2cccn2)cc1)N(Cc1ccccn1)Cc1ccccn1.
What is the InChIKey of 4-pyrazol-1-yl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide?
The InChIKey is YGIOPVZLJXHPMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N5O2S/c27-29(28,21-10-8-20(9-11-21)26-15-5-14-24-26)25(16-18-6-1-3-12-22-18)17-19-7-2-4-13-23-19/h1-15H,16-17H2.
What are the key properties of 4-pyrazol-1-yl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide?
4-pyrazol-1-yl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide has a molecular weight of 405.48 g/mol, XLogP of 3.05, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrazol-1-yl-N,N-bis(pyridin-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 2738475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).