N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]benzamide

C17H15N3O3S — CID 56782351

IUPACN-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]benzamide
SMILESCS(=O)(=O)c1ccccc1-n1cc(NC(=O)c2ccccc2)cn1
InChIInChI=1S/C17H15N3O3S/c1-24(22,23)16-10-6-5-9-15(16)20-12-14(11-18-20)19-17(21)13-7-3-2-4-8-13/h2-12H,1H3,(H,19,21)
InChIKeyWRAMELJZJRCKDP-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.53
Rot. Bonds4

About N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]benzamide

N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]benzamide (PubChem CID 56782351) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]benzamide.

Molecular Properties

Compound NameN-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]benzamide
PubChem CID56782351
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC NameN-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]benzamide
SMILESCS(=O)(=O)c1ccccc1-n1cc(NC(=O)c2ccccc2)cn1
InChIInChI=1S/C17H15N3O3S/c1-24(22,23)16-10-6-5-9-15(16)20-12-14(11-18-20)19-17(21)13-7-3-2-4-8-13/h2-12H,1H3,(H,19,21)
InChIKeyWRAMELJZJRCKDP-UHFFFAOYSA-N
XLogP2.53
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-1-carboxamide
CID 56782059
N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-thiophen-2-ylacetamide
CID 167988082
N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]pyrrolidine-2-carboxamide
CID 119319470
2-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2-(oxan-4-yl)acetamide;hydrochloride
CID 120792369
3-amino-N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]cyclohexane-1-carboxamide
CID 119776547
N-(1-pyridin-4-ylpyrazol-4-yl)benzamide
CID 110471191
N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indole-2-carboxamide
CID 119319462
1-phenyl-N-(1-phenylpyrazol-4-yl)pyrazole-4-carboxamide
CID 171981866
N-[1-(3-chlorophenyl)pyrazol-4-yl]benzamide
CID 67287365
N-(4-iodo-1H-indazol-3-yl)-1-(2-methylsulfonylphenyl)pyrazole-4-carboxamide
CID 167890008
N-(1-tert-butylpyrazol-4-yl)-2-methylsulfonylbenzamide
CID 86860481
N-(4-chloro-3-methylsulfonylphenyl)-1-phenylpyrazole-4-carboxamide
CID 86806955

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]benzamide?
The IUPAC name of N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]benzamide (CID 56782351) is N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]benzamide.
What is the SMILES notation for N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]benzamide?
The canonical SMILES for N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]benzamide is CS(=O)(=O)c1ccccc1-n1cc(NC(=O)c2ccccc2)cn1.
What is the InChIKey of N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]benzamide?
The InChIKey is WRAMELJZJRCKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O3S/c1-24(22,23)16-10-6-5-9-15(16)20-12-14(11-18-20)19-17(21)13-7-3-2-4-8-13/h2-12H,1H3,(H,19,21).
What are the key properties of N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]benzamide?
N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]benzamide has a molecular weight of 341.39 g/mol, XLogP of 2.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methylsulfonylphenyl)pyrazol-4-yl]benzamide is sourced from PubChem (CID 56782351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).