4-(4-methylphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide

C26H37N3O2S — CID 118462234

IUPAC4-(4-methylphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)NCCCN3CCC(N4CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C26H37N3O2S/c1-22-6-8-23(9-7-22)24-10-12-26(13-11-24)32(30,31)27-16-5-17-28-20-14-25(15-21-28)29-18-3-2-4-19-29/h6-13,25,27H,2-5,14-21H2,1H3
InChIKeyHBVSLEIQCNPRAA-UHFFFAOYSA-N
MW455.67 g/mol
LogP4.28
Rot. Bonds8

About 4-(4-methylphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide

4-(4-methylphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide (PubChem CID 118462234) has the molecular formula C26H37N3O2S and a molecular weight of 455.67 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide
PubChem CID118462234
Molecular FormulaC26H37N3O2S
Molecular Weight455.67 g/mol
Exact Mass455.26
IUPAC Name4-(4-methylphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)NCCCN3CCC(N4CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C26H37N3O2S/c1-22-6-8-23(9-7-22)24-10-12-26(13-11-24)32(30,31)27-16-5-17-28-20-14-25(15-21-28)29-18-3-2-4-19-29/h6-13,25,27H,2-5,14-21H2,1H3
InChIKeyHBVSLEIQCNPRAA-UHFFFAOYSA-N
XLogP4.28
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.67
LogP ≤ 54.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(4-methylphenyl)-N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]benzenesulfonamide
CID 123454556
4-bromo-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide
CID 118462171
N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 126581729
4-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]benzenesulfonamide
CID 8824091
4-methyl-N-[3-[(3R)-3-methylpiperidin-1-yl]propyl]benzenesulfonamide
CID 94061336
4-(bromomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 65480605
4-iodo-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 4988896
2-methyl-1-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(2-piperidin-1-ylethyl)guanidine
CID 111416173
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
4-methyl-N-[2-(3-methylpiperidin-1-yl)ethyl]benzenesulfonamide
CID 47206414
4-(4-methoxyphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577342
N-[3-(4-benzylpiperidin-1-yl)propyl]-4-(4-chlorophenyl)benzenesulfonamide
CID 162364662

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide?
The IUPAC name of 4-(4-methylphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide (CID 118462234) is 4-(4-methylphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide?
The canonical SMILES for 4-(4-methylphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide is Cc1ccc(-c2ccc(S(=O)(=O)NCCCN3CCC(N4CCCCC4)CC3)cc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide?
The InChIKey is HBVSLEIQCNPRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H37N3O2S/c1-22-6-8-23(9-7-22)24-10-12-26(13-11-24)32(30,31)27-16-5-17-28-20-14-25(15-21-28)29-18-3-2-4-19-29/h6-13,25,27H,2-5,14-21H2,1H3.
What are the key properties of 4-(4-methylphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide?
4-(4-methylphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide has a molecular weight of 455.67 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide is sourced from PubChem (CID 118462234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).