N-[4-[(1-benzyl-4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide

C25H29N3O3S — CID 14998805

IUPACN-[4-[(1-benzyl-4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(OCC2CN(c3ccccc3)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C25H29N3O3S/c1-32(29,30)26-22-12-14-25(15-13-22)31-20-24-19-28(23-10-6-3-7-11-23)17-16-27(24)18-21-8-4-2-5-9-21/h2-15,24,26H,16-20H2,1H3
InChIKeyGCGOOXLZPPEODJ-UHFFFAOYSA-N
MW451.59 g/mol
LogP3.83
Rot. Bonds8

About N-[4-[(1-benzyl-4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide

N-[4-[(1-benzyl-4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide (PubChem CID 14998805) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-[4-[(1-benzyl-4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(1-benzyl-4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide
PubChem CID14998805
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC NameN-[4-[(1-benzyl-4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(OCC2CN(c3ccccc3)CCN2Cc2ccccc2)cc1
InChIInChI=1S/C25H29N3O3S/c1-32(29,30)26-22-12-14-25(15-13-22)31-20-24-19-28(23-10-6-3-7-11-23)17-16-27(24)18-21-8-4-2-5-9-21/h2-15,24,26H,16-20H2,1H3
InChIKeyGCGOOXLZPPEODJ-UHFFFAOYSA-N
XLogP3.83
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.59
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(1-benzyl-4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(1-benzyl-4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide (CID 14998805) is N-[4-[(1-benzyl-4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(1-benzyl-4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(1-benzyl-4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(OCC2CN(c3ccccc3)CCN2Cc2ccccc2)cc1.
What is the InChIKey of N-[4-[(1-benzyl-4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide?
The InChIKey is GCGOOXLZPPEODJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-32(29,30)26-22-12-14-25(15-13-22)31-20-24-19-28(23-10-6-3-7-11-23)17-16-27(24)18-21-8-4-2-5-9-21/h2-15,24,26H,16-20H2,1H3.
What are the key properties of N-[4-[(1-benzyl-4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide?
N-[4-[(1-benzyl-4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide has a molecular weight of 451.59 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(1-benzyl-4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide is sourced from PubChem (CID 14998805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).