2-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylpyrazol-3-yl)acetamide

C16H18ClN3O3S — CID 99180754

IUPAC2-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C16H18ClN3O3S/c17-12-5-7-14(8-6-12)24(22,23)11-16(21)19-15-9-10-18-20(15)13-3-1-2-4-13/h5-10,13H,1-4,11H2,(H,19,21)
InChIKeyUMOWQGIJKCGSLG-UHFFFAOYSA-N
MW367.86 g/mol
LogP3.06
Rot. Bonds5

About 2-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylpyrazol-3-yl)acetamide

2-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylpyrazol-3-yl)acetamide (PubChem CID 99180754) has the molecular formula C16H18ClN3O3S and a molecular weight of 367.86 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylpyrazol-3-yl)acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
PubChem CID99180754
Molecular FormulaC16H18ClN3O3S
Molecular Weight367.86 g/mol
Exact Mass367.08
IUPAC Name2-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
SMILESO=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccnn1C1CCCC1
InChIInChI=1S/C16H18ClN3O3S/c17-12-5-7-14(8-6-12)24(22,23)11-16(21)19-15-9-10-18-20(15)13-3-1-2-4-13/h5-10,13H,1-4,11H2,(H,19,21)
InChIKeyUMOWQGIJKCGSLG-UHFFFAOYSA-N
XLogP3.06
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.86
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chlorophenyl)sulfanyl-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 7816349
2-cyano-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 110470108
2-(2-chloro-6-fluorophenyl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 8819868
2-[4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 43022359
3-(2-chlorophenyl)-N-(2-cyclopentylpyrazol-3-yl)propanamide
CID 78807984
2-(3-chlorophenoxy)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 35142597
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 9438130
N-(2-cyclopentylpyrazol-3-yl)-2-phenylsulfanylacetamide
CID 31235798
2-(2-chlorophenoxy)-N-(2-cyclohexylpyrazol-3-yl)acetamide
CID 51145877
2-(benzotriazol-2-yl)-N-(2-cyclopentylpyrazol-3-yl)acetamide
CID 134702607
N-(2-cyclohexylpyrazol-3-yl)-2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetamide
CID 78772114
N-(2-cyclopentylpyrazol-3-yl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35064432

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylpyrazol-3-yl)acetamide (CID 99180754) is 2-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylpyrazol-3-yl)acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylpyrazol-3-yl)acetamide is O=C(CS(=O)(=O)c1ccc(Cl)cc1)Nc1ccnn1C1CCCC1.
What is the InChIKey of 2-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylpyrazol-3-yl)acetamide?
The InChIKey is UMOWQGIJKCGSLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O3S/c17-12-5-7-14(8-6-12)24(22,23)11-16(21)19-15-9-10-18-20(15)13-3-1-2-4-13/h5-10,13H,1-4,11H2,(H,19,21).
What are the key properties of 2-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylpyrazol-3-yl)acetamide?
2-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylpyrazol-3-yl)acetamide has a molecular weight of 367.86 g/mol, XLogP of 3.06, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfonyl-N-(2-cyclopentylpyrazol-3-yl)acetamide is sourced from PubChem (CID 99180754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).