N,N-dimethyl-4-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide

C23H30N2O3S — CID 142727599

IUPACN,N-dimethyl-4-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CCCC(=O)N2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H30N2O3S/c1-24(2)29(27,28)22-13-11-19(12-14-22)7-6-10-23(26)25-17-15-21(16-18-25)20-8-4-3-5-9-20/h3-5,8-9,11-14,21H,6-7,10,15-18H2,1-2H3
InChIKeySJUUVYJMKGPDDG-UHFFFAOYSA-N
MW414.57 g/mol
LogP3.67
Rot. Bonds7

About N,N-dimethyl-4-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide

N,N-dimethyl-4-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide (PubChem CID 142727599) has the molecular formula C23H30N2O3S and a molecular weight of 414.57 g/mol. Its IUPAC name is N,N-dimethyl-4-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide
PubChem CID142727599
Molecular FormulaC23H30N2O3S
Molecular Weight414.57 g/mol
Exact Mass414.20
IUPAC NameN,N-dimethyl-4-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(CCCC(=O)N2CCC(c3ccccc3)CC2)cc1
InChIInChI=1S/C23H30N2O3S/c1-24(2)29(27,28)22-13-11-19(12-14-22)7-6-10-23(26)25-17-15-21(16-18-25)20-8-4-3-5-9-20/h3-5,8-9,11-14,21H,6-7,10,15-18H2,1-2H3
InChIKeySJUUVYJMKGPDDG-UHFFFAOYSA-N
XLogP3.67
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.57
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide (CID 142727599) is N,N-dimethyl-4-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(CCCC(=O)N2CCC(c3ccccc3)CC2)cc1.
What is the InChIKey of N,N-dimethyl-4-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide?
The InChIKey is SJUUVYJMKGPDDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O3S/c1-24(2)29(27,28)22-13-11-19(12-14-22)7-6-10-23(26)25-17-15-21(16-18-25)20-8-4-3-5-9-20/h3-5,8-9,11-14,21H,6-7,10,15-18H2,1-2H3.
What are the key properties of N,N-dimethyl-4-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide?
N,N-dimethyl-4-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide has a molecular weight of 414.57 g/mol, XLogP of 3.67, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[4-oxo-4-(4-phenylpiperidin-1-yl)butyl]benzenesulfonamide is sourced from PubChem (CID 142727599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).