(3R)-1-[1-[4-(3-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]pyrrolidin-3-ol

C21H25ClN2O3S — CID 97415211

IUPAC(3R)-1-[1-[4-(3-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]pyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(-c2cccc(Cl)c2)cc1)N1CCC(N2CC[C@@H](O)C2)CC1
InChIInChI=1S/C21H25ClN2O3S/c22-18-3-1-2-17(14-18)16-4-6-21(7-5-16)28(26,27)24-12-8-19(9-13-24)23-11-10-20(25)15-23/h1-7,14,19-20,25H,8-13,15H2/t20-/m1/s1
InChIKeyRXSUKFQLJKHRLA-HXUWFJFHSA-N
MW420.96 g/mol
LogP3.23
Rot. Bonds4

About (3R)-1-[1-[4-(3-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]pyrrolidin-3-ol

(3R)-1-[1-[4-(3-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]pyrrolidin-3-ol (PubChem CID 97415211) has the molecular formula C21H25ClN2O3S and a molecular weight of 420.96 g/mol. Its IUPAC name is (3R)-1-[1-[4-(3-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]pyrrolidin-3-ol.

Molecular Properties

Compound Name(3R)-1-[1-[4-(3-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]pyrrolidin-3-ol
PubChem CID97415211
Molecular FormulaC21H25ClN2O3S
Molecular Weight420.96 g/mol
Exact Mass420.13
IUPAC Name(3R)-1-[1-[4-(3-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]pyrrolidin-3-ol
SMILESO=S(=O)(c1ccc(-c2cccc(Cl)c2)cc1)N1CCC(N2CC[C@@H](O)C2)CC1
InChIInChI=1S/C21H25ClN2O3S/c22-18-3-1-2-17(14-18)16-4-6-21(7-5-16)28(26,27)24-12-8-19(9-13-24)23-11-10-20(25)15-23/h1-7,14,19-20,25H,8-13,15H2/t20-/m1/s1
InChIKeyRXSUKFQLJKHRLA-HXUWFJFHSA-N
XLogP3.23
TPSA60.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.96
LogP ≤ 53.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (3R)-1-[1-[4-(3-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]pyrrolidin-3-ol 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

(3S)-1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
CID 97415190
(3R)-1-[1-(3,4-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
CID 97415191
(3S)-1-[1-(2,6-difluorophenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
CID 97415192
1-[1-(2-methoxyphenyl)sulfonylpiperidin-4-yl]pyrrolidin-3-ol
CID 91813618
(3R,5S)-1-[1-(4-chlorophenyl)sulfonylpiperidin-4-yl]-3,5-dimethylpiperidine
CID 1333989
1-(3-chlorophenyl)sulfonyl-4-cyclopentylpiperazine;hydrochloride
CID 163331803
1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 77144746
(3S)-1-(2,4-dichlorophenyl)sulfonylpyrrolidin-3-ol
CID 98008354
4-(benzenesulfonyl)-1-[3-(4-chlorophenyl)phenyl]sulfonylpiperidine
CID 90589542
1-(3-chlorophenyl)sulfonylpiperidine-4-carboxylic acid
CID 23607548
2-[1-[4-(3-methylphenyl)phenyl]sulfonylpyrrolidin-3-yl]triazole
CID 121178887
(3S)-1-(4-methylsulfonylphenyl)sulfonylpyrrolidin-3-ol
CID 79031039

Frequently Asked Questions

What is the IUPAC name of (3R)-1-[1-[4-(3-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]pyrrolidin-3-ol?
The IUPAC name of (3R)-1-[1-[4-(3-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]pyrrolidin-3-ol (CID 97415211) is (3R)-1-[1-[4-(3-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]pyrrolidin-3-ol.
What is the SMILES notation for (3R)-1-[1-[4-(3-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]pyrrolidin-3-ol?
The canonical SMILES for (3R)-1-[1-[4-(3-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]pyrrolidin-3-ol is O=S(=O)(c1ccc(-c2cccc(Cl)c2)cc1)N1CCC(N2CC[C@@H](O)C2)CC1.
What is the InChIKey of (3R)-1-[1-[4-(3-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]pyrrolidin-3-ol?
The InChIKey is RXSUKFQLJKHRLA-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H25ClN2O3S/c22-18-3-1-2-17(14-18)16-4-6-21(7-5-16)28(26,27)24-12-8-19(9-13-24)23-11-10-20(25)15-23/h1-7,14,19-20,25H,8-13,15H2/t20-/m1/s1.
What are the key properties of (3R)-1-[1-[4-(3-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]pyrrolidin-3-ol?
(3R)-1-[1-[4-(3-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]pyrrolidin-3-ol has a molecular weight of 420.96 g/mol, XLogP of 3.23, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-[1-[4-(3-chlorophenyl)phenyl]sulfonylpiperidin-4-yl]pyrrolidin-3-ol is sourced from PubChem (CID 97415211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).