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

C27H39N3O2S — CID 123454556

IUPAC4-(4-methylphenyl)-N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]benzenesulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)NCCCCN3CCC(N4CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C27H39N3O2S/c1-23-7-9-24(10-8-23)25-11-13-27(14-12-25)33(31,32)28-17-3-6-18-29-21-15-26(16-22-29)30-19-4-2-5-20-30/h7-14,26,28H,2-6,15-22H2,1H3
InChIKeyJRVPNNPYRYRICY-UHFFFAOYSA-N
MW469.70 g/mol
LogP4.67
Rot. Bonds9

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

4-(4-methylphenyl)-N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]benzenesulfonamide (PubChem CID 123454556) has the molecular formula C27H39N3O2S and a molecular weight of 469.70 g/mol. Its IUPAC name is 4-(4-methylphenyl)-N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-methylphenyl)-N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]benzenesulfonamide
PubChem CID123454556
Molecular FormulaC27H39N3O2S
Molecular Weight469.70 g/mol
Exact Mass469.28
IUPAC Name4-(4-methylphenyl)-N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]benzenesulfonamide
SMILESCc1ccc(-c2ccc(S(=O)(=O)NCCCCN3CCC(N4CCCCC4)CC3)cc2)cc1
InChIInChI=1S/C27H39N3O2S/c1-23-7-9-24(10-8-23)25-11-13-27(14-12-25)33(31,32)28-17-3-6-18-29-21-15-26(16-22-29)30-19-4-2-5-20-30/h7-14,26,28H,2-6,15-22H2,1H3
InChIKeyJRVPNNPYRYRICY-UHFFFAOYSA-N
XLogP4.67
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500469.70
LogP ≤ 54.67
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-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide
CID 118462234
N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 126581729
4-bromo-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzenesulfonamide
CID 118462171
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
N-[5-(azepan-1-yl)pentyl]benzenesulfonamide
CID 110444590
4-methyl-N-[10-[(4-methylphenyl)sulfonylamino]decyl]benzenesulfonamide
CID 12715316
N-[4-[4-(2-ethoxy-4-methylphenyl)piperidin-1-yl]butyl]-4-[4-(trifluoromethyl)phenyl]benzenesulfonamide
CID 10210186
4-(bromomethyl)-N-(3-pyrrolidin-1-ylpropyl)benzenesulfonamide
CID 65480605
4-(4-methoxyphenyl)-N-[3-(4-piperidin-1-ylpiperidin-1-yl)propyl]benzamide
CID 126577342
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

Frequently Asked Questions

What is the IUPAC name of 4-(4-methylphenyl)-N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]benzenesulfonamide?
The IUPAC name of 4-(4-methylphenyl)-N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]benzenesulfonamide (CID 123454556) is 4-(4-methylphenyl)-N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]benzenesulfonamide.
What is the SMILES notation for 4-(4-methylphenyl)-N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]benzenesulfonamide?
The canonical SMILES for 4-(4-methylphenyl)-N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]benzenesulfonamide is Cc1ccc(-c2ccc(S(=O)(=O)NCCCCN3CCC(N4CCCCC4)CC3)cc2)cc1.
What is the InChIKey of 4-(4-methylphenyl)-N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]benzenesulfonamide?
The InChIKey is JRVPNNPYRYRICY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H39N3O2S/c1-23-7-9-24(10-8-23)25-11-13-27(14-12-25)33(31,32)28-17-3-6-18-29-21-15-26(16-22-29)30-19-4-2-5-20-30/h7-14,26,28H,2-6,15-22H2,1H3.
What are the key properties of 4-(4-methylphenyl)-N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]benzenesulfonamide?
4-(4-methylphenyl)-N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]benzenesulfonamide has a molecular weight of 469.70 g/mol, XLogP of 4.67, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-methylphenyl)-N-[4-(4-piperidin-1-ylpiperidin-1-yl)butyl]benzenesulfonamide is sourced from PubChem (CID 123454556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).