[3-[4-(4-chloro-2-methylphenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone

C21H30ClN3O3S — CID 146372765

IUPAC[3-[4-(4-chloro-2-methylphenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
SMILESCc1cc(Cl)ccc1C1CCN(S(=O)(=O)C2CN(C(=O)[C@@H]3CCCN3C)C2)CC1
InChIInChI=1S/C21H30ClN3O3S/c1-15-12-17(22)5-6-19(15)16-7-10-25(11-8-16)29(27,28)18-13-24(14-18)21(26)20-4-3-9-23(20)2/h5-6,12,16,18,20H,3-4,7-11,13-14H2,1-2H3/t20-/m0/s1
InChIKeyCWQFUDQQRMLLGA-FQEVSTJZSA-N
MW440.01 g/mol
LogP2.46
Rot. Bonds4

About [3-[4-(4-chloro-2-methylphenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone

[3-[4-(4-chloro-2-methylphenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone (PubChem CID 146372765) has the molecular formula C21H30ClN3O3S and a molecular weight of 440.01 g/mol. Its IUPAC name is [3-[4-(4-chloro-2-methylphenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone.

Molecular Properties

Compound Name[3-[4-(4-chloro-2-methylphenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
PubChem CID146372765
Molecular FormulaC21H30ClN3O3S
Molecular Weight440.01 g/mol
Exact Mass439.17
IUPAC Name[3-[4-(4-chloro-2-methylphenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone
SMILESCc1cc(Cl)ccc1C1CCN(S(=O)(=O)C2CN(C(=O)[C@@H]3CCCN3C)C2)CC1
InChIInChI=1S/C21H30ClN3O3S/c1-15-12-17(22)5-6-19(15)16-7-10-25(11-8-16)29(27,28)18-13-24(14-18)21(26)20-4-3-9-23(20)2/h5-6,12,16,18,20H,3-4,7-11,13-14H2,1-2H3/t20-/m0/s1
InChIKeyCWQFUDQQRMLLGA-FQEVSTJZSA-N
XLogP2.46
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.01
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [3-[4-(4-chloro-2-methylphenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone 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

N-(Benzylsulfonyl)-D-Valyl-N-[2-(Aminomethyl)-5-Chlorobenzyl]-L-Prolinamide
CID 56947161
N-(Benzylsulfonyl)-D-Leucyl-N-[2-(Aminomethyl)-5-Chlorobenzyl]-L-Prolinamide
CID 57411954
N-(Benzylsulfonyl)-D-Alanyl-N-[2-(Aminomethyl)-5-Chlorobenzyl]-L-Prolinamide
CID 56947160
N-(1-(4-(4-Chlorophenyl)piperidin-1-yl)-3-methyl-1-oxobutan-2-yl)(phenyl)methanesulfonamide
CID 57888688
[(2S,4S)-1-[(3-chlorophenyl)methylsulfonyl]-4-fluoropyrrolidin-2-yl]-(3,4-dihydro-1H-isoquinolin-2-yl)methanone
CID 110876132
1-{1-[(4-Chlorophenyl)methanesulfonyl]-4-fluoropyrrolidine-2-carbonyl}piperidine
CID 110876180
2-{1-[(4-Chlorophenyl)methanesulfonyl]-4-fluoropyrrolidine-2-carbonyl}-1,2,3,4-tetrahydroisoquinoline
CID 110876129
[(2S,4S)-1-[(2-chlorophenyl)methylsulfonyl]-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110876181
[(2S,4S)-1-[(3-chlorophenyl)methylsulfonyl]-4-fluoropyrrolidin-2-yl]-piperidin-1-ylmethanone
CID 110876182
[(3S)-4-(4-chloro-2-fluoro-6-methylphenyl)-3-methylpiperidin-1-yl]-(1-ethylpyrrolidin-2-yl)methanone
CID 170614347
N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 119044533
(2S)-N-[(4-chloro-3-fluorophenyl)methylsulfonyl]-1-(2-methylpropanoyl)pyrrolidine-2-carboxamide
CID 124864609

Frequently Asked Questions

What is the IUPAC name of [3-[4-(4-chloro-2-methylphenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone?
The IUPAC name of [3-[4-(4-chloro-2-methylphenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone (CID 146372765) is [3-[4-(4-chloro-2-methylphenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone.
What is the SMILES notation for [3-[4-(4-chloro-2-methylphenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone?
The canonical SMILES for [3-[4-(4-chloro-2-methylphenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone is Cc1cc(Cl)ccc1C1CCN(S(=O)(=O)C2CN(C(=O)[C@@H]3CCCN3C)C2)CC1.
What is the InChIKey of [3-[4-(4-chloro-2-methylphenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone?
The InChIKey is CWQFUDQQRMLLGA-FQEVSTJZSA-N. The full InChI is InChI=1S/C21H30ClN3O3S/c1-15-12-17(22)5-6-19(15)16-7-10-25(11-8-16)29(27,28)18-13-24(14-18)21(26)20-4-3-9-23(20)2/h5-6,12,16,18,20H,3-4,7-11,13-14H2,1-2H3/t20-/m0/s1.
What are the key properties of [3-[4-(4-chloro-2-methylphenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone?
[3-[4-(4-chloro-2-methylphenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone has a molecular weight of 440.01 g/mol, XLogP of 2.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[4-(4-chloro-2-methylphenyl)piperidin-1-yl]sulfonylazetidin-1-yl]-[(2S)-1-methylpyrrolidin-2-yl]methanone is sourced from PubChem (CID 146372765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).