1-(2-chlorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine

C14H16ClN3O2S — CID 110871238

IUPAC1-(2-chlorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine
SMILESO=S(=O)(c1ccccc1Cl)N1CCC(n2cccn2)CC1
InChIInChI=1S/C14H16ClN3O2S/c15-13-4-1-2-5-14(13)21(19,20)17-10-6-12(7-11-17)18-9-3-8-16-18/h1-5,8-9,12H,6-7,10-11H2
InChIKeyBJSXTUJWOFOKGV-UHFFFAOYSA-N
MW325.82 g/mol
LogP2.56
Rot. Bonds3

About 1-(2-chlorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine

1-(2-chlorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine (PubChem CID 110871238) has the molecular formula C14H16ClN3O2S and a molecular weight of 325.82 g/mol. Its IUPAC name is 1-(2-chlorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine.

Molecular Properties

Compound Name1-(2-chlorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine
PubChem CID110871238
Molecular FormulaC14H16ClN3O2S
Molecular Weight325.82 g/mol
Exact Mass325.07
IUPAC Name1-(2-chlorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine
SMILESO=S(=O)(c1ccccc1Cl)N1CCC(n2cccn2)CC1
InChIInChI=1S/C14H16ClN3O2S/c15-13-4-1-2-5-14(13)21(19,20)17-10-6-12(7-11-17)18-9-3-8-16-18/h1-5,8-9,12H,6-7,10-11H2
InChIKeyBJSXTUJWOFOKGV-UHFFFAOYSA-N
XLogP2.56
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.82
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]morpholine
CID 11950053
4-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]morpholine;hydrochloride
CID 141183632
1-(2,5-dimethylphenyl)sulfonyl-4-pyrazol-1-ylpiperidine
CID 110871203
1-(2-chlorophenyl)sulfonyl-4-cyclopropylpiperazine
CID 47454432
3-[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]imidazolidine-2,4-dione
CID 121160081
4-(2-chlorophenyl)sulfonylmorpholine
CID 7938037
1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]ethanamine;hydrochloride
CID 119975012
3-(chloromethyl)-1-(2-chlorophenyl)sulfonylpyrrolidine
CID 63400465
1-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-5-fluorobenzotriazole
CID 1469808
1-(2-chlorophenyl)sulfonylpyrrolidine-3-carboxylic acid
CID 63030799
3-[1-(2-chlorophenyl)sulfonylpiperidin-4-yl]-1H-benzimidazol-2-one
CID 6735522
[1-(2-chlorophenyl)sulfonylpyrrolidin-3-yl]methanamine;hydrochloride
CID 119972183

Frequently Asked Questions

What is the IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine?
The IUPAC name of 1-(2-chlorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine (CID 110871238) is 1-(2-chlorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine.
What is the SMILES notation for 1-(2-chlorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine?
The canonical SMILES for 1-(2-chlorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine is O=S(=O)(c1ccccc1Cl)N1CCC(n2cccn2)CC1.
What is the InChIKey of 1-(2-chlorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine?
The InChIKey is BJSXTUJWOFOKGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN3O2S/c15-13-4-1-2-5-14(13)21(19,20)17-10-6-12(7-11-17)18-9-3-8-16-18/h1-5,8-9,12H,6-7,10-11H2.
What are the key properties of 1-(2-chlorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine?
1-(2-chlorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine has a molecular weight of 325.82 g/mol, XLogP of 2.56, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-chlorophenyl)sulfonyl-4-pyrazol-1-ylpiperidine is sourced from PubChem (CID 110871238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).