N-(2-methylsulfonylphenyl)-4-(pyrazol-1-ylmethyl)benzamide

C18H17N3O3S — CID 55534682

IUPACN-(2-methylsulfonylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C18H17N3O3S/c1-25(23,24)17-6-3-2-5-16(17)20-18(22)15-9-7-14(8-10-15)13-21-12-4-11-19-21/h2-12H,13H2,1H3,(H,20,22)
InChIKeyBNRQXRLUOYVNJG-UHFFFAOYSA-N
MW355.42 g/mol
LogP2.59
Rot. Bonds5

About N-(2-methylsulfonylphenyl)-4-(pyrazol-1-ylmethyl)benzamide

N-(2-methylsulfonylphenyl)-4-(pyrazol-1-ylmethyl)benzamide (PubChem CID 55534682) has the molecular formula C18H17N3O3S and a molecular weight of 355.42 g/mol. Its IUPAC name is N-(2-methylsulfonylphenyl)-4-(pyrazol-1-ylmethyl)benzamide.

Molecular Properties

Compound NameN-(2-methylsulfonylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
PubChem CID55534682
Molecular FormulaC18H17N3O3S
Molecular Weight355.42 g/mol
Exact Mass355.10
IUPAC NameN-(2-methylsulfonylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
SMILESCS(=O)(=O)c1ccccc1NC(=O)c1ccc(Cn2cccn2)cc1
InChIInChI=1S/C18H17N3O3S/c1-25(23,24)17-6-3-2-5-16(17)20-18(22)15-9-7-14(8-10-15)13-21-12-4-11-19-21/h2-12H,13H2,1H3,(H,20,22)
InChIKeyBNRQXRLUOYVNJG-UHFFFAOYSA-N
XLogP2.59
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.42
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 56503212
N-(2-hydroxy-4-methylphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18138231
4-methyl-N-(2-methylsulfonylphenyl)benzamide
CID 40805420
2-methylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzenesulfonamide
CID 55902750
4-propan-2-ylsulfonyl-N-[4-(pyrazol-1-ylmethyl)phenyl]benzamide
CID 55970703
N-ethyl-4-[4-(pyrazol-1-ylmethyl)phenyl]sulfonylbenzamide
CID 174850179
N-(2,4-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18141970
N-(4-chloro-2,5-dimethoxyphenyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 26022355
N-[4-(diethylamino)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 134036419
4-(pyrazol-1-ylmethyl)-N-thiophen-3-ylbenzamide
CID 175249041
N-[2-(3-phenyl-1H-1,2,4-triazol-5-yl)phenyl]-4-(pyrazol-1-ylmethyl)benzamide
CID 55991421
N-(2-methylpropyl)-4-(pyrazol-1-ylmethyl)benzamide
CID 18136496

Frequently Asked Questions

What is the IUPAC name of N-(2-methylsulfonylphenyl)-4-(pyrazol-1-ylmethyl)benzamide?
The IUPAC name of N-(2-methylsulfonylphenyl)-4-(pyrazol-1-ylmethyl)benzamide (CID 55534682) is N-(2-methylsulfonylphenyl)-4-(pyrazol-1-ylmethyl)benzamide.
What is the SMILES notation for N-(2-methylsulfonylphenyl)-4-(pyrazol-1-ylmethyl)benzamide?
The canonical SMILES for N-(2-methylsulfonylphenyl)-4-(pyrazol-1-ylmethyl)benzamide is CS(=O)(=O)c1ccccc1NC(=O)c1ccc(Cn2cccn2)cc1.
What is the InChIKey of N-(2-methylsulfonylphenyl)-4-(pyrazol-1-ylmethyl)benzamide?
The InChIKey is BNRQXRLUOYVNJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S/c1-25(23,24)17-6-3-2-5-16(17)20-18(22)15-9-7-14(8-10-15)13-21-12-4-11-19-21/h2-12H,13H2,1H3,(H,20,22).
What are the key properties of N-(2-methylsulfonylphenyl)-4-(pyrazol-1-ylmethyl)benzamide?
N-(2-methylsulfonylphenyl)-4-(pyrazol-1-ylmethyl)benzamide has a molecular weight of 355.42 g/mol, XLogP of 2.59, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylsulfonylphenyl)-4-(pyrazol-1-ylmethyl)benzamide is sourced from PubChem (CID 55534682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).