4-chloro-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-methylsulfonylbenzamide

C18H14Cl3N3O3S — CID 24509823

IUPAC4-chloro-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)ccc1Cl
InChIInChI=1S/C18H14Cl3N3O3S/c1-28(26,27)15-9-11(5-6-13(15)19)18(25)23-16-7-8-22-24(16)10-12-3-2-4-14(20)17(12)21/h2-9H,10H2,1H3,(H,23,25)
InChIKeyKTRGGRRPMWGPLU-UHFFFAOYSA-N
MW458.75 g/mol
LogP4.55
Rot. Bonds5

About 4-chloro-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-methylsulfonylbenzamide

4-chloro-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-methylsulfonylbenzamide (PubChem CID 24509823) has the molecular formula C18H14Cl3N3O3S and a molecular weight of 458.75 g/mol. Its IUPAC name is 4-chloro-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-methylsulfonylbenzamide.

Molecular Properties

Compound Name4-chloro-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-methylsulfonylbenzamide
PubChem CID24509823
Molecular FormulaC18H14Cl3N3O3S
Molecular Weight458.75 g/mol
Exact Mass456.98
IUPAC Name4-chloro-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-methylsulfonylbenzamide
SMILESCS(=O)(=O)c1cc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)ccc1Cl
InChIInChI=1S/C18H14Cl3N3O3S/c1-28(26,27)15-9-11(5-6-13(15)19)18(25)23-16-7-8-22-24(16)10-12-3-2-4-14(20)17(12)21/h2-9H,10H2,1H3,(H,23,25)
InChIKeyKTRGGRRPMWGPLU-UHFFFAOYSA-N
XLogP4.55
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.75
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(2,5-dioxopyrrolidin-1-yl)benzamide
CID 55434210
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-methylbenzamide
CID 18193320
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5-fluoro-2-methylbenzamide
CID 52544670
4-chloro-3-(dimethylsulfamoyl)-N-[2-(thiophen-2-ylmethyl)pyrazol-3-yl]benzamide
CID 2485473
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzamide
CID 55434125
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-2-(4-methylphenyl)acetamide
CID 18096376
N-(2-benzylpyrazol-3-yl)-3,4-dichlorobenzamide
CID 7589760
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidine-2-carboxamide
CID 18096350
N-[2-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-cyanobenzamide
CID 31976011
1-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-(1-hydroxypropan-2-yl)urea
CID 119034354
N-[2-[(2,6-dichlorophenyl)methyl]pyrazol-3-yl]-3-(dimethylsulfamoyl)benzamide
CID 24525231
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]piperidine-4-carboxamide;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-methylsulfonylbenzamide?
The IUPAC name of 4-chloro-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-methylsulfonylbenzamide (CID 24509823) is 4-chloro-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-methylsulfonylbenzamide.
What is the SMILES notation for 4-chloro-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-methylsulfonylbenzamide?
The canonical SMILES for 4-chloro-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-methylsulfonylbenzamide is CS(=O)(=O)c1cc(C(=O)Nc2ccnn2Cc2cccc(Cl)c2Cl)ccc1Cl.
What is the InChIKey of 4-chloro-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-methylsulfonylbenzamide?
The InChIKey is KTRGGRRPMWGPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14Cl3N3O3S/c1-28(26,27)15-9-11(5-6-13(15)19)18(25)23-16-7-8-22-24(16)10-12-3-2-4-14(20)17(12)21/h2-9H,10H2,1H3,(H,23,25).
What are the key properties of 4-chloro-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-methylsulfonylbenzamide?
4-chloro-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-methylsulfonylbenzamide has a molecular weight of 458.75 g/mol, XLogP of 4.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-3-methylsulfonylbenzamide is sourced from PubChem (CID 24509823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).