N-[(4-cyanophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide

C18H16N4O2S — CID 163316015

IUPACN-[(4-cyanophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc(C#N)cc1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C18H16N4O2S/c1-25(23,24)22(14-16-8-6-15(13-19)7-9-16)18-5-2-4-17(12-18)21-11-3-10-20-21/h2-12H,14H2,1H3
InChIKeyIAVVZIBELIXTDD-UHFFFAOYSA-N
MW352.42 g/mol
LogP2.71
Rot. Bonds5

About N-[(4-cyanophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide

N-[(4-cyanophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide (PubChem CID 163316015) has the molecular formula C18H16N4O2S and a molecular weight of 352.42 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide.

Molecular Properties

Compound NameN-[(4-cyanophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide
PubChem CID163316015
Molecular FormulaC18H16N4O2S
Molecular Weight352.42 g/mol
Exact Mass352.10
IUPAC NameN-[(4-cyanophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide
SMILESCS(=O)(=O)N(Cc1ccc(C#N)cc1)c1cccc(-n2cccn2)c1
InChIInChI=1S/C18H16N4O2S/c1-25(23,24)22(14-16-8-6-15(13-19)7-9-16)18-5-2-4-17(12-18)21-11-3-10-20-21/h2-12H,14H2,1H3
InChIKeyIAVVZIBELIXTDD-UHFFFAOYSA-N
XLogP2.71
TPSA78.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.42
LogP ≤ 52.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(4-cyanophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide?
The IUPAC name of N-[(4-cyanophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide (CID 163316015) is N-[(4-cyanophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide.
What is the SMILES notation for N-[(4-cyanophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide?
The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide is CS(=O)(=O)N(Cc1ccc(C#N)cc1)c1cccc(-n2cccn2)c1.
What is the InChIKey of N-[(4-cyanophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide?
The InChIKey is IAVVZIBELIXTDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O2S/c1-25(23,24)22(14-16-8-6-15(13-19)7-9-16)18-5-2-4-17(12-18)21-11-3-10-20-21/h2-12H,14H2,1H3.
What are the key properties of N-[(4-cyanophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide?
N-[(4-cyanophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide has a molecular weight of 352.42 g/mol, XLogP of 2.71, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-cyanophenyl)methyl]-N-(3-pyrazol-1-ylphenyl)methanesulfonamide is sourced from PubChem (CID 163316015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).