N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-chlorophenyl)-N-ethylpropanamide

C16H19Cl2N3O3S — CID 3449137

IUPACN-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-chlorophenyl)-N-ethylpropanamide
SMILESCCN(C(=O)C(C)c1ccc(Cl)cc1)S(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C16H19Cl2N3O3S/c1-5-21(16(22)10(2)12-6-8-13(17)9-7-12)25(23,24)14-11(3)19-20(4)15(14)18/h6-10H,5H2,1-4H3
InChIKeyXDROITRHVIBAGW-UHFFFAOYSA-N
MW404.32 g/mol
LogP3.38
Rot. Bonds5

About N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-chlorophenyl)-N-ethylpropanamide

N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-chlorophenyl)-N-ethylpropanamide (PubChem CID 3449137) has the molecular formula C16H19Cl2N3O3S and a molecular weight of 404.32 g/mol. Its IUPAC name is N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-chlorophenyl)-N-ethylpropanamide.

Molecular Properties

Compound NameN-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-chlorophenyl)-N-ethylpropanamide
PubChem CID3449137
Molecular FormulaC16H19Cl2N3O3S
Molecular Weight404.32 g/mol
Exact Mass403.05
IUPAC NameN-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-chlorophenyl)-N-ethylpropanamide
SMILESCCN(C(=O)C(C)c1ccc(Cl)cc1)S(=O)(=O)c1c(C)nn(C)c1Cl
InChIInChI=1S/C16H19Cl2N3O3S/c1-5-21(16(22)10(2)12-6-8-13(17)9-7-12)25(23,24)14-11(3)19-20(4)15(14)18/h6-10H,5H2,1-4H3
InChIKeyXDROITRHVIBAGW-UHFFFAOYSA-N
XLogP3.38
TPSA72.27 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.32
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(2,4-dichlorobenzyl)-3-isopropyl-1H-pyrazol-5-yl]-N-(pentylsulfonyl)propanamide
CID 57391547
3-[1-(2,4-dichlorobenzyl)-3-phenyl-1H-pyrazol-5-yl]-N-(pentylsulfonyl)propanamide
CID 57398549
N-[2-(4-chlorophenyl)ethyl]-1,3,5-trimethylpyrazole-4-sulfonamide
CID 5123202
N-[2-(4-chlorophenyl)ethyl]-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidine-3-carboxamide
CID 5309444
4-(4-Chlorobenzyl)-1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidine
CID 72550442
4-(4-Chloro-3-fluorobenzyl)-1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidine
CID 72550886
4-(4-Chloro-2-fluorobenzyl)-1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidine
CID 72551107
(4-Chlorophenyl)(1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-yl)methanone
CID 86704288
1-{[1-(4-chlorobenzoyl)-3,5-dimethyl-1H-pyrazol-4-yl]sulfonyl}azepane
CID 16029668
4-chloro-N-[[1-(1,1-dioxothiolan-3-yl)-3,5-dimethylpyrazol-4-yl]methyl]-N-methylbenzamide
CID 16315672
N-[2-(4-Chlorophenyl)ethyl]-2-{N-[4-(propan-2-YL)phenyl]1,3,5-trimethyl-1H-pyrazole-4-sulfonamido}acetamide
CID 16009261
(3,4-Dichlorophenyl)(1-((1,3,5-trimethyl-1H-pyrazol-4-yl)sulfonyl)piperidin-4-yl)methanone
CID 72550224

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-chlorophenyl)-N-ethylpropanamide?
The IUPAC name of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-chlorophenyl)-N-ethylpropanamide (CID 3449137) is N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-chlorophenyl)-N-ethylpropanamide.
What is the SMILES notation for N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-chlorophenyl)-N-ethylpropanamide?
The canonical SMILES for N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-chlorophenyl)-N-ethylpropanamide is CCN(C(=O)C(C)c1ccc(Cl)cc1)S(=O)(=O)c1c(C)nn(C)c1Cl.
What is the InChIKey of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-chlorophenyl)-N-ethylpropanamide?
The InChIKey is XDROITRHVIBAGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19Cl2N3O3S/c1-5-21(16(22)10(2)12-6-8-13(17)9-7-12)25(23,24)14-11(3)19-20(4)15(14)18/h6-10H,5H2,1-4H3.
What are the key properties of N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-chlorophenyl)-N-ethylpropanamide?
N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-chlorophenyl)-N-ethylpropanamide has a molecular weight of 404.32 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-1,3-dimethylpyrazol-4-yl)sulfonyl-2-(4-chlorophenyl)-N-ethylpropanamide is sourced from PubChem (CID 3449137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).