N-benzyl-4-pyrazol-1-ylbenzenesulfonamide

C16H15N3O2S — CID 20914812

IUPACN-benzyl-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H15N3O2S/c20-22(21,18-13-14-5-2-1-3-6-14)16-9-7-15(8-10-16)19-12-4-11-17-19/h1-12,18H,13H2
InChIKeyUCTFYPOTUMKOIA-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.35
Rot. Bonds5

About N-benzyl-4-pyrazol-1-ylbenzenesulfonamide

N-benzyl-4-pyrazol-1-ylbenzenesulfonamide (PubChem CID 20914812) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-benzyl-4-pyrazol-1-ylbenzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-4-pyrazol-1-ylbenzenesulfonamide
PubChem CID20914812
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-benzyl-4-pyrazol-1-ylbenzenesulfonamide
SMILESO=S(=O)(NCc1ccccc1)c1ccc(-n2cccn2)cc1
InChIInChI=1S/C16H15N3O2S/c20-22(21,18-13-14-5-2-1-3-6-14)16-9-7-15(8-10-16)19-12-4-11-17-19/h1-12,18H,13H2
InChIKeyUCTFYPOTUMKOIA-UHFFFAOYSA-N
XLogP2.35
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-4-pyrazol-1-ylbenzenesulfonamide?
The IUPAC name of N-benzyl-4-pyrazol-1-ylbenzenesulfonamide (CID 20914812) is N-benzyl-4-pyrazol-1-ylbenzenesulfonamide.
What is the SMILES notation for N-benzyl-4-pyrazol-1-ylbenzenesulfonamide?
The canonical SMILES for N-benzyl-4-pyrazol-1-ylbenzenesulfonamide is O=S(=O)(NCc1ccccc1)c1ccc(-n2cccn2)cc1.
What is the InChIKey of N-benzyl-4-pyrazol-1-ylbenzenesulfonamide?
The InChIKey is UCTFYPOTUMKOIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-22(21,18-13-14-5-2-1-3-6-14)16-9-7-15(8-10-16)19-12-4-11-17-19/h1-12,18H,13H2.
What are the key properties of N-benzyl-4-pyrazol-1-ylbenzenesulfonamide?
N-benzyl-4-pyrazol-1-ylbenzenesulfonamide has a molecular weight of 313.38 g/mol, XLogP of 2.35, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-4-pyrazol-1-ylbenzenesulfonamide is sourced from PubChem (CID 20914812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).