N-[4-[[(4-phenylpiperazin-2-yl)methylamino]methyl]phenyl]methanesulfonamide

C19H26N4O2S — CID 14998846

IUPACN-[4-[[(4-phenylpiperazin-2-yl)methylamino]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CNCC2CN(c3ccccc3)CCN2)cc1
InChIInChI=1S/C19H26N4O2S/c1-26(24,25)22-17-9-7-16(8-10-17)13-20-14-18-15-23(12-11-21-18)19-5-3-2-4-6-19/h2-10,18,20-22H,11-15H2,1H3
InChIKeyUZPZDTUIIXEVNN-UHFFFAOYSA-N
MW374.51 g/mol
LogP1.63
Rot. Bonds7

About N-[4-[[(4-phenylpiperazin-2-yl)methylamino]methyl]phenyl]methanesulfonamide

N-[4-[[(4-phenylpiperazin-2-yl)methylamino]methyl]phenyl]methanesulfonamide (PubChem CID 14998846) has the molecular formula C19H26N4O2S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[4-[[(4-phenylpiperazin-2-yl)methylamino]methyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[[(4-phenylpiperazin-2-yl)methylamino]methyl]phenyl]methanesulfonamide
PubChem CID14998846
Molecular FormulaC19H26N4O2S
Molecular Weight374.51 g/mol
Exact Mass374.18
IUPAC NameN-[4-[[(4-phenylpiperazin-2-yl)methylamino]methyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(CNCC2CN(c3ccccc3)CCN2)cc1
InChIInChI=1S/C19H26N4O2S/c1-26(24,25)22-17-9-7-16(8-10-17)13-20-14-18-15-23(12-11-21-18)19-5-3-2-4-6-19/h2-10,18,20-22H,11-15H2,1H3
InChIKeyUZPZDTUIIXEVNN-UHFFFAOYSA-N
XLogP1.63
TPSA73.47 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 51.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[[(4-phenylpiperazin-2-yl)methylamino]methyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[[(4-phenylpiperazin-2-yl)methylamino]methyl]phenyl]methanesulfonamide (CID 14998846) is N-[4-[[(4-phenylpiperazin-2-yl)methylamino]methyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[[(4-phenylpiperazin-2-yl)methylamino]methyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[[(4-phenylpiperazin-2-yl)methylamino]methyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(CNCC2CN(c3ccccc3)CCN2)cc1.
What is the InChIKey of N-[4-[[(4-phenylpiperazin-2-yl)methylamino]methyl]phenyl]methanesulfonamide?
The InChIKey is UZPZDTUIIXEVNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O2S/c1-26(24,25)22-17-9-7-16(8-10-17)13-20-14-18-15-23(12-11-21-18)19-5-3-2-4-6-19/h2-10,18,20-22H,11-15H2,1H3.
What are the key properties of N-[4-[[(4-phenylpiperazin-2-yl)methylamino]methyl]phenyl]methanesulfonamide?
N-[4-[[(4-phenylpiperazin-2-yl)methylamino]methyl]phenyl]methanesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 1.63, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(4-phenylpiperazin-2-yl)methylamino]methyl]phenyl]methanesulfonamide is sourced from PubChem (CID 14998846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).