N-[3-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide

C27H32N2O3S — CID 57264796

IUPACN-[3-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(CCN2CCCC(OC(c3ccccc3)c3ccccc3)C2)c1
InChIInChI=1S/C27H32N2O3S/c1-33(30,31)28-25-15-8-10-22(20-25)17-19-29-18-9-16-26(21-29)32-27(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-8,10-15,20,26-28H,9,16-19,21H2,1H3
InChIKeyUTZBOFSVFGRIGO-UHFFFAOYSA-N
MW464.63 g/mol
LogP4.87
Rot. Bonds9

About N-[3-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide

N-[3-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide (PubChem CID 57264796) has the molecular formula C27H32N2O3S and a molecular weight of 464.63 g/mol. Its IUPAC name is N-[3-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide
PubChem CID57264796
Molecular FormulaC27H32N2O3S
Molecular Weight464.63 g/mol
Exact Mass464.21
IUPAC NameN-[3-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(CCN2CCCC(OC(c3ccccc3)c3ccccc3)C2)c1
InChIInChI=1S/C27H32N2O3S/c1-33(30,31)28-25-15-8-10-22(20-25)17-19-29-18-9-16-26(21-29)32-27(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-8,10-15,20,26-28H,9,16-19,21H2,1H3
InChIKeyUTZBOFSVFGRIGO-UHFFFAOYSA-N
XLogP4.87
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.63
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide (CID 57264796) is N-[3-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(CCN2CCCC(OC(c3ccccc3)c3ccccc3)C2)c1.
What is the InChIKey of N-[3-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide?
The InChIKey is UTZBOFSVFGRIGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O3S/c1-33(30,31)28-25-15-8-10-22(20-25)17-19-29-18-9-16-26(21-29)32-27(23-11-4-2-5-12-23)24-13-6-3-7-14-24/h2-8,10-15,20,26-28H,9,16-19,21H2,1H3.
What are the key properties of N-[3-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide?
N-[3-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide has a molecular weight of 464.63 g/mol, XLogP of 4.87, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(3-benzhydryloxypiperidin-1-yl)ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 57264796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).