(3S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

C24H29ClFN3O3S — CID 51887575

IUPAC(3S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESO=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C24H29ClFN3O3S/c25-22-8-2-1-7-21(22)23(28-13-3-4-14-28)16-27-24(30)18-6-5-15-29(17-18)33(31,32)20-11-9-19(26)10-12-20/h1-2,7-12,18,23H,3-6,13-17H2,(H,27,30)/t18-,23-/m0/s1
InChIKeyWJIKERFASHCTQI-MBSDFSHPSA-N
MW494.03 g/mol
LogP3.83
Rot. Bonds7

About (3S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide

(3S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (PubChem CID 51887575) has the molecular formula C24H29ClFN3O3S and a molecular weight of 494.03 g/mol. Its IUPAC name is (3S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
PubChem CID51887575
Molecular FormulaC24H29ClFN3O3S
Molecular Weight494.03 g/mol
Exact Mass493.16
IUPAC Name(3S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
SMILESO=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1
InChIInChI=1S/C24H29ClFN3O3S/c25-22-8-2-1-7-21(22)23(28-13-3-4-14-28)16-27-24(30)18-6-5-15-29(17-18)33(31,32)20-11-9-19(26)10-12-20/h1-2,7-12,18,23H,3-6,13-17H2,(H,27,30)/t18-,23-/m0/s1
InChIKeyWJIKERFASHCTQI-MBSDFSHPSA-N
XLogP3.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.03
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-1-(4-fluorophenyl)sulfonyl-N-(2-methylpropyl)piperidine-3-carboxamide
CID 27539403
(3S)-N-[2-(4-fluorophenyl)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 9210573
N-[2-(cyclohexanecarbonylamino)ethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 55805767
(3S)-3-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-N-phenylpiperidine-1,3-dicarboxamide
CID 51924944
1-(4-fluorophenyl)sulfonyl-N-[2-(methylamino)ethyl]piperidine-3-carboxamide
CID 119499977
(3S)-1-(4-fluorophenyl)sulfonyl-N-(thiophen-2-ylmethyl)piperidine-3-carboxamide
CID 1456645
N-[2-(diethylamino)-3-phenylpropyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 46413986
(3R)-N-[2-[(4-chlorophenyl)methylsulfanyl]phenyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide
CID 100670784
1-(4-fluorophenyl)sulfonyl-N-(pyridin-2-ylmethyl)piperidine-3-carboxamide
CID 2969235
(3R)-1-(4-fluorophenyl)sulfonyl-N-[(1R)-1-(2-methylphenyl)propyl]piperidine-3-carboxamide
CID 100671673
1-(4-chlorophenyl)sulfonyl-N-[(2-fluorophenyl)methyl]piperidine-3-carboxamide
CID 24636962
2-[[2-(2-chlorophenyl)-2-piperidin-1-ylethyl]amino]-1-(4-pyrrolidin-1-ylsulfonylphenyl)ethanone
CID 110828089

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The IUPAC name of (3S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide (CID 51887575) is (3S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is O=C(NC[C@@H](c1ccccc1Cl)N1CCCC1)[C@H]1CCCN(S(=O)(=O)c2ccc(F)cc2)C1.
What is the InChIKey of (3S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
The InChIKey is WJIKERFASHCTQI-MBSDFSHPSA-N. The full InChI is InChI=1S/C24H29ClFN3O3S/c25-22-8-2-1-7-21(22)23(28-13-3-4-14-28)16-27-24(30)18-6-5-15-29(17-18)33(31,32)20-11-9-19(26)10-12-20/h1-2,7-12,18,23H,3-6,13-17H2,(H,27,30)/t18-,23-/m0/s1.
What are the key properties of (3S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide?
(3S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide has a molecular weight of 494.03 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-1-(4-fluorophenyl)sulfonylpiperidine-3-carboxamide is sourced from PubChem (CID 51887575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).