N-(4-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine

C17H23ClN4O2S — CID 72550225

IUPACN-(4-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN4O2S/c1-12-17(13(2)21(3)20-12)25(23,24)22-10-8-16(9-11-22)19-15-6-4-14(18)5-7-15/h4-7,16,19H,8-11H2,1-3H3
InChIKeyAIWRATIZFHITQS-UHFFFAOYSA-N
MW382.92 g/mol
LogP2.96
Rot. Bonds4

About N-(4-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine

N-(4-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine (PubChem CID 72550225) has the molecular formula C17H23ClN4O2S and a molecular weight of 382.92 g/mol. Its IUPAC name is N-(4-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine
PubChem CID72550225
Molecular FormulaC17H23ClN4O2S
Molecular Weight382.92 g/mol
Exact Mass382.12
IUPAC NameN-(4-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine
SMILESCc1nn(C)c(C)c1S(=O)(=O)N1CCC(Nc2ccc(Cl)cc2)CC1
InChIInChI=1S/C17H23ClN4O2S/c1-12-17(13(2)21(3)20-12)25(23,24)22-10-8-16(9-11-22)19-15-6-4-14(18)5-7-15/h4-7,16,19H,8-11H2,1-3H3
InChIKeyAIWRATIZFHITQS-UHFFFAOYSA-N
XLogP2.96
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.92
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine (CID 72550225) is N-(4-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine is Cc1nn(C)c(C)c1S(=O)(=O)N1CCC(Nc2ccc(Cl)cc2)CC1.
What is the InChIKey of N-(4-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine?
The InChIKey is AIWRATIZFHITQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23ClN4O2S/c1-12-17(13(2)21(3)20-12)25(23,24)22-10-8-16(9-11-22)19-15-6-4-14(18)5-7-15/h4-7,16,19H,8-11H2,1-3H3.
What are the key properties of N-(4-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine?
N-(4-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine has a molecular weight of 382.92 g/mol, XLogP of 2.96, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-1-(1,3,5-trimethylpyrazol-4-yl)sulfonylpiperidin-4-amine is sourced from PubChem (CID 72550225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).