3-(4-chlorophenyl)-4-phenyl-N-[4-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazolidine-3-carboxamide

C22H24ClF3N4O3S — CID 67174756

IUPAC3-(4-chlorophenyl)-4-phenyl-N-[4-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazolidine-3-carboxamide
SMILESO=C(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C1(c2ccc(Cl)cc2)NNCC1c1ccccc1
InChIInChI=1S/C22H24ClF3N4O3S/c23-18-8-6-16(7-9-18)21(19(14-27-29-21)15-4-2-1-3-5-15)20(31)28-34(32,33)30-12-10-17(11-13-30)22(24,25)26/h1-9,17,19,27,29H,10-14H2,(H,28,31)
InChIKeyFAZNJFNRRZKRNK-UHFFFAOYSA-N
MW516.97 g/mol
LogP3.06
Rot. Bonds5

About 3-(4-chlorophenyl)-4-phenyl-N-[4-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazolidine-3-carboxamide

3-(4-chlorophenyl)-4-phenyl-N-[4-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazolidine-3-carboxamide (PubChem CID 67174756) has the molecular formula C22H24ClF3N4O3S and a molecular weight of 516.97 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-4-phenyl-N-[4-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazolidine-3-carboxamide.

Molecular Properties

Compound Name3-(4-chlorophenyl)-4-phenyl-N-[4-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazolidine-3-carboxamide
PubChem CID67174756
Molecular FormulaC22H24ClF3N4O3S
Molecular Weight516.97 g/mol
Exact Mass516.12
IUPAC Name3-(4-chlorophenyl)-4-phenyl-N-[4-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazolidine-3-carboxamide
SMILESO=C(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C1(c2ccc(Cl)cc2)NNCC1c1ccccc1
InChIInChI=1S/C22H24ClF3N4O3S/c23-18-8-6-16(7-9-18)21(19(14-27-29-21)15-4-2-1-3-5-15)20(31)28-34(32,33)30-12-10-17(11-13-30)22(24,25)26/h1-9,17,19,27,29H,10-14H2,(H,28,31)
InChIKeyFAZNJFNRRZKRNK-UHFFFAOYSA-N
XLogP3.06
TPSA90.54 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.97
LogP ≤ 53.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-4-phenyl-N-[4-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazolidine-3-carboxamide?
The IUPAC name of 3-(4-chlorophenyl)-4-phenyl-N-[4-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazolidine-3-carboxamide (CID 67174756) is 3-(4-chlorophenyl)-4-phenyl-N-[4-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazolidine-3-carboxamide.
What is the SMILES notation for 3-(4-chlorophenyl)-4-phenyl-N-[4-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazolidine-3-carboxamide?
The canonical SMILES for 3-(4-chlorophenyl)-4-phenyl-N-[4-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazolidine-3-carboxamide is O=C(NS(=O)(=O)N1CCC(C(F)(F)F)CC1)C1(c2ccc(Cl)cc2)NNCC1c1ccccc1.
What is the InChIKey of 3-(4-chlorophenyl)-4-phenyl-N-[4-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazolidine-3-carboxamide?
The InChIKey is FAZNJFNRRZKRNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClF3N4O3S/c23-18-8-6-16(7-9-18)21(19(14-27-29-21)15-4-2-1-3-5-15)20(31)28-34(32,33)30-12-10-17(11-13-30)22(24,25)26/h1-9,17,19,27,29H,10-14H2,(H,28,31).
What are the key properties of 3-(4-chlorophenyl)-4-phenyl-N-[4-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazolidine-3-carboxamide?
3-(4-chlorophenyl)-4-phenyl-N-[4-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazolidine-3-carboxamide has a molecular weight of 516.97 g/mol, XLogP of 3.06, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-4-phenyl-N-[4-(trifluoromethyl)piperidin-1-yl]sulfonylpyrazolidine-3-carboxamide is sourced from PubChem (CID 67174756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).