4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide

C20H26ClN3O2S — CID 131898978

IUPAC4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide
SMILESCc1ccc(N2CCC(NCCc3ccc(S(N)(=O)=O)cc3)CC2)cc1Cl
InChIInChI=1S/C20H26ClN3O2S/c1-15-2-5-18(14-20(15)21)24-12-9-17(10-13-24)23-11-8-16-3-6-19(7-4-16)27(22,25)26/h2-7,14,17,23H,8-13H2,1H3,(H2,22,25,26)
InChIKeyAXNDOQRHALCBIS-UHFFFAOYSA-N
MW407.97 g/mol
LogP3.10
Rot. Bonds6

About 4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide

4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide (PubChem CID 131898978) has the molecular formula C20H26ClN3O2S and a molecular weight of 407.97 g/mol. Its IUPAC name is 4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide
PubChem CID131898978
Molecular FormulaC20H26ClN3O2S
Molecular Weight407.97 g/mol
Exact Mass407.14
IUPAC Name4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide
SMILESCc1ccc(N2CCC(NCCc3ccc(S(N)(=O)=O)cc3)CC2)cc1Cl
InChIInChI=1S/C20H26ClN3O2S/c1-15-2-5-18(14-20(15)21)24-12-9-17(10-13-24)23-11-8-16-3-6-19(7-4-16)27(22,25)26/h2-7,14,17,23H,8-13H2,1H3,(H2,22,25,26)
InChIKeyAXNDOQRHALCBIS-UHFFFAOYSA-N
XLogP3.10
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.97
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide 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

4-[2-[[(3R)-1-(3-chloro-4-methylphenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CID 1420538
4-[2-[(1-propylpiperidin-4-yl)amino]ethyl]benzenesulfonamide
CID 119164939
4-[2-(cyclohexylamino)ethyl]benzenesulfonamide
CID 54995569
4-[2-[(4-aminocyclohexyl)amino]ethyl]benzenesulfonamide
CID 79742039
N-[2-(3-chloro-4-methylphenyl)ethyl]cyclopropanamine
CID 106818906
4-[2-(thian-4-ylamino)ethyl]benzenesulfonamide
CID 54995674
4-[2-[(3-methylcyclopentyl)amino]ethyl]benzenesulfonamide
CID 64500491
4-[2-[[(3R)-1-(3,4-dichlorophenyl)-2,5-dioxopyrrolidin-3-yl]amino]ethyl]benzenesulfonamide
CID 1090820
4-[2-[(3-aminocyclobutyl)amino]ethyl]benzenesulfonamide
CID 80560838
N-(3-chloro-4-methylphenyl)-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002575
4-[2-[(3-methoxycyclohexyl)amino]ethyl]benzenesulfonamide
CID 106872019
4-[2-[(3-methoxycyclobutyl)amino]ethyl]benzenesulfonamide
CID 104872021

Frequently Asked Questions

What is the IUPAC name of 4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide?
The IUPAC name of 4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide (CID 131898978) is 4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide.
What is the SMILES notation for 4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide?
The canonical SMILES for 4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide is Cc1ccc(N2CCC(NCCc3ccc(S(N)(=O)=O)cc3)CC2)cc1Cl.
What is the InChIKey of 4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide?
The InChIKey is AXNDOQRHALCBIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26ClN3O2S/c1-15-2-5-18(14-20(15)21)24-12-9-17(10-13-24)23-11-8-16-3-6-19(7-4-16)27(22,25)26/h2-7,14,17,23H,8-13H2,1H3,(H2,22,25,26).
What are the key properties of 4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide?
4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide has a molecular weight of 407.97 g/mol, XLogP of 3.10, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[[1-(3-chloro-4-methylphenyl)piperidin-4-yl]amino]ethyl]benzenesulfonamide is sourced from PubChem (CID 131898978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).