N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide

C16H15N3O2S — CID 22205141

IUPACN-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-n2cccn2)cc1)c1ccccc1
InChIInChI=1S/C16H15N3O2S/c20-22(21,16-5-2-1-3-6-16)18-13-14-7-9-15(10-8-14)19-12-4-11-17-19/h1-12,18H,13H2
InChIKeyHEFRTGGLPDLUHB-UHFFFAOYSA-N
MW313.38 g/mol
LogP2.35
Rot. Bonds5

About N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide

N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide (PubChem CID 22205141) has the molecular formula C16H15N3O2S and a molecular weight of 313.38 g/mol. Its IUPAC name is N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
PubChem CID22205141
Molecular FormulaC16H15N3O2S
Molecular Weight313.38 g/mol
Exact Mass313.09
IUPAC NameN-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide
SMILESO=S(=O)(NCc1ccc(-n2cccn2)cc1)c1ccccc1
InChIInChI=1S/C16H15N3O2S/c20-22(21,16-5-2-1-3-6-16)18-13-14-7-9-15(10-8-14)19-12-4-11-17-19/h1-12,18H,13H2
InChIKeyHEFRTGGLPDLUHB-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-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide?
The IUPAC name of N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide (CID 22205141) is N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide.
What is the SMILES notation for N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide?
The canonical SMILES for N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide is O=S(=O)(NCc1ccc(-n2cccn2)cc1)c1ccccc1.
What is the InChIKey of N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide?
The InChIKey is HEFRTGGLPDLUHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O2S/c20-22(21,16-5-2-1-3-6-16)18-13-14-7-9-15(10-8-14)19-12-4-11-17-19/h1-12,18H,13H2.
What are the key properties of N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide?
N-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide 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-[(4-pyrazol-1-ylphenyl)methyl]benzenesulfonamide is sourced from PubChem (CID 22205141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).