N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methyl-5-methylsulfonylbenzamide

C18H16ClN3O3S — CID 87007049

IUPACN-(3-chloro-2-pyrazol-1-ylphenyl)-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C18H16ClN3O3S/c1-12-7-8-13(26(2,24)25)11-14(12)18(23)21-16-6-3-5-15(19)17(16)22-10-4-9-20-22/h3-11H,1-2H3,(H,21,23)
InChIKeyJGHPUZAGNRWEDH-UHFFFAOYSA-N
MW389.86 g/mol
LogP3.49
Rot. Bonds4

About N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methyl-5-methylsulfonylbenzamide

N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methyl-5-methylsulfonylbenzamide (PubChem CID 87007049) has the molecular formula C18H16ClN3O3S and a molecular weight of 389.86 g/mol. Its IUPAC name is N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-(3-chloro-2-pyrazol-1-ylphenyl)-2-methyl-5-methylsulfonylbenzamide
PubChem CID87007049
Molecular FormulaC18H16ClN3O3S
Molecular Weight389.86 g/mol
Exact Mass389.06
IUPAC NameN-(3-chloro-2-pyrazol-1-ylphenyl)-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(Cl)c1-n1cccn1
InChIInChI=1S/C18H16ClN3O3S/c1-12-7-8-13(26(2,24)25)11-14(12)18(23)21-16-6-3-5-15(19)17(16)22-10-4-9-20-22/h3-11H,1-2H3,(H,21,23)
InChIKeyJGHPUZAGNRWEDH-UHFFFAOYSA-N
XLogP3.49
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(3-chloro-2-pyrazol-1-ylphenyl)-6-methylpyridine-2-carboxamide
CID 87007071
5-(tert-butylsulfamoyl)-N-[3-chloro-2-(1,2,4-triazol-1-yl)phenyl]-2-methylbenzamide
CID 55610005
N-(3-chloro-2-methylphenyl)-2-methyl-5-(methylsulfamoyl)benzamide
CID 51297779
N-(3-chloro-2-pyrazol-1-ylphenyl)-3-(4-methylphenyl)sulfonylpropanamide
CID 78891540
N-(2-chloro-4-iodophenyl)-2-methyl-5-methylsulfonylbenzamide
CID 55677538
N-(3-chloro-2-methylphenyl)-5-(dimethylsulfamoyl)-2-methylbenzamide
CID 8780488
2-methyl-N-[3-methyl-2-(pyrrolidine-1-carbonyl)phenyl]-5-methylsulfonylbenzamide
CID 55714655
N-(3-chloro-4-methylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26087165
N-(2,5-dimethylphenyl)-2-methyl-5-methylsulfonylbenzamide
CID 26909371
5-chloro-N-(3-chloro-2-pyrazol-1-ylphenyl)-1,3,4-thiadiazole-2-carboxamide
CID 80617639
N-(3-chloro-2-pyrazol-1-ylphenyl)cyclopropanecarboxamide
CID 47251954
N-(3-chloro-2-pyrazol-1-ylphenyl)prop-2-enamide
CID 54867440

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methyl-5-methylsulfonylbenzamide?
The IUPAC name of N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methyl-5-methylsulfonylbenzamide (CID 87007049) is N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methyl-5-methylsulfonylbenzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1cccc(Cl)c1-n1cccn1.
What is the InChIKey of N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methyl-5-methylsulfonylbenzamide?
The InChIKey is JGHPUZAGNRWEDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16ClN3O3S/c1-12-7-8-13(26(2,24)25)11-14(12)18(23)21-16-6-3-5-15(19)17(16)22-10-4-9-20-22/h3-11H,1-2H3,(H,21,23).
What are the key properties of N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methyl-5-methylsulfonylbenzamide?
N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methyl-5-methylsulfonylbenzamide has a molecular weight of 389.86 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-2-pyrazol-1-ylphenyl)-2-methyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 87007049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).