1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanesulfonamide

C17H17N3O2S — CID 22205164

IUPAC1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H17N3O2S/c21-23(22,14-16-5-2-1-3-6-16)19-13-15-7-9-17(10-8-15)20-12-4-11-18-20/h1-12,19H,13-14H2
InChIKeyTWQPEQVIMORFHH-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.49
Rot. Bonds6

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

1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanesulfonamide (PubChem CID 22205164) has the molecular formula C17H17N3O2S and a molecular weight of 327.41 g/mol. Its IUPAC name is 1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanesulfonamide.

Molecular Properties

Compound Name1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanesulfonamide
PubChem CID22205164
Molecular FormulaC17H17N3O2S
Molecular Weight327.41 g/mol
Exact Mass327.10
IUPAC Name1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)NCc1ccc(-n2cccn2)cc1
InChIInChI=1S/C17H17N3O2S/c21-23(22,14-16-5-2-1-3-6-16)19-13-15-7-9-17(10-8-15)20-12-4-11-18-20/h1-12,19H,13-14H2
InChIKeyTWQPEQVIMORFHH-UHFFFAOYSA-N
XLogP2.49
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanesulfonamide?
The IUPAC name of 1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanesulfonamide (CID 22205164) is 1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanesulfonamide.
What is the SMILES notation for 1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanesulfonamide?
The canonical SMILES for 1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanesulfonamide is O=S(=O)(Cc1ccccc1)NCc1ccc(-n2cccn2)cc1.
What is the InChIKey of 1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanesulfonamide?
The InChIKey is TWQPEQVIMORFHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N3O2S/c21-23(22,14-16-5-2-1-3-6-16)19-13-15-7-9-17(10-8-15)20-12-4-11-18-20/h1-12,19H,13-14H2.
What are the key properties of 1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanesulfonamide?
1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanesulfonamide has a molecular weight of 327.41 g/mol, XLogP of 2.49, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-phenyl-N-[(4-pyrazol-1-ylphenyl)methyl]methanesulfonamide is sourced from PubChem (CID 22205164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).