N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methyl-5-methylsulfonylbenzamide

C19H17Cl2N3O3S — CID 16568046

IUPACN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl2N3O3S/c1-12-3-6-15(28(2,26)27)10-16(12)19(25)23-18-7-8-22-24(18)11-13-4-5-14(20)9-17(13)21/h3-10H,11H2,1-2H3,(H,23,25)
InChIKeyFWDXVZYNUJRGCI-UHFFFAOYSA-N
MW438.34 g/mol
LogP4.20
Rot. Bonds5

About N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methyl-5-methylsulfonylbenzamide

N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methyl-5-methylsulfonylbenzamide (PubChem CID 16568046) has the molecular formula C19H17Cl2N3O3S and a molecular weight of 438.34 g/mol. Its IUPAC name is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methyl-5-methylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methyl-5-methylsulfonylbenzamide
PubChem CID16568046
Molecular FormulaC19H17Cl2N3O3S
Molecular Weight438.34 g/mol
Exact Mass437.04
IUPAC NameN-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methyl-5-methylsulfonylbenzamide
SMILESCc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl
InChIInChI=1S/C19H17Cl2N3O3S/c1-12-3-6-15(28(2,26)27)10-16(12)19(25)23-18-7-8-22-24(18)11-13-4-5-14(20)9-17(13)21/h3-10H,11H2,1-2H3,(H,23,25)
InChIKeyFWDXVZYNUJRGCI-UHFFFAOYSA-N
XLogP4.20
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500438.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4,5-difluorobenzamide
CID 55435501
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2,4,5-trimethoxybenzamide
CID 55435526
2-chloro-N-[2-[[4-(dimethylamino)phenyl]methyl]pyrazol-3-yl]-5-methylsulfonylbenzamide
CID 78806729
2-bromo-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-5-methoxybenzamide
CID 46632512
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-piperidin-1-ylsulfonylbenzamide
CID 55435502
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]pyrazine-2-carboxamide
CID 16567956
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methoxyacetamide
CID 47020457
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-4-(methylamino)butanamide
CID 119695467
2-chloro-N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-6-fluorobenzamide
CID 55435457
2-chloro-5-methylsulfonyl-N-(2-propan-2-ylpyrazol-3-yl)benzamide
CID 78772248
N-[2-[(2,3-dichlorophenyl)methyl]pyrazol-3-yl]-5-fluoro-2-methylbenzamide
CID 52544670
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-phenylsulfanylpyridine-3-carboxamide
CID 16568023

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methyl-5-methylsulfonylbenzamide?
The IUPAC name of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methyl-5-methylsulfonylbenzamide (CID 16568046) is N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methyl-5-methylsulfonylbenzamide.
What is the SMILES notation for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methyl-5-methylsulfonylbenzamide?
The canonical SMILES for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methyl-5-methylsulfonylbenzamide is Cc1ccc(S(C)(=O)=O)cc1C(=O)Nc1ccnn1Cc1ccc(Cl)cc1Cl.
What is the InChIKey of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methyl-5-methylsulfonylbenzamide?
The InChIKey is FWDXVZYNUJRGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17Cl2N3O3S/c1-12-3-6-15(28(2,26)27)10-16(12)19(25)23-18-7-8-22-24(18)11-13-4-5-14(20)9-17(13)21/h3-10H,11H2,1-2H3,(H,23,25).
What are the key properties of N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methyl-5-methylsulfonylbenzamide?
N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methyl-5-methylsulfonylbenzamide has a molecular weight of 438.34 g/mol, XLogP of 4.20, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-dichlorophenyl)methyl]pyrazol-3-yl]-2-methyl-5-methylsulfonylbenzamide is sourced from PubChem (CID 16568046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).