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

C25H30N4O2S — CID 14998813

IUPACN-[4-[(4-benzyl-1-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NCC2CN(Cc3ccccc3)CCN2c2ccccc2)cc1
InChIInChI=1S/C25H30N4O2S/c1-32(30,31)27-23-14-12-22(13-15-23)26-18-25-20-28(19-21-8-4-2-5-9-21)16-17-29(25)24-10-6-3-7-11-24/h2-15,25-27H,16-20H2,1H3
InChIKeySYWQXBQXJVFEGQ-UHFFFAOYSA-N
MW450.61 g/mol
LogP3.86
Rot. Bonds8

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

N-[4-[(4-benzyl-1-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide (PubChem CID 14998813) has the molecular formula C25H30N4O2S and a molecular weight of 450.61 g/mol. Its IUPAC name is N-[4-[(4-benzyl-1-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[(4-benzyl-1-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide
PubChem CID14998813
Molecular FormulaC25H30N4O2S
Molecular Weight450.61 g/mol
Exact Mass450.21
IUPAC NameN-[4-[(4-benzyl-1-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(NCC2CN(Cc3ccccc3)CCN2c2ccccc2)cc1
InChIInChI=1S/C25H30N4O2S/c1-32(30,31)27-23-14-12-22(13-15-23)26-18-25-20-28(19-21-8-4-2-5-9-21)16-17-29(25)24-10-6-3-7-11-24/h2-15,25-27H,16-20H2,1H3
InChIKeySYWQXBQXJVFEGQ-UHFFFAOYSA-N
XLogP3.86
TPSA64.68 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.61
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(1-benzyl-4-phenylpiperazin-2-yl)methoxy]phenyl]methanesulfonamide
CID 14998805
N-(1,4-dibenzylpiperazin-2-yl)methanesulfonamide
CID 68604895
N-[4-[4-[[4-(4-benzylpiperazine-1-carbonyl)piperidin-1-yl]methyl]phenoxy]phenyl]methanesulfonamide
CID 67037740
4-benzyl-2-methyl-1-methylsulfonylpiperazine
CID 72691051
4-(4-benzylpiperazin-1-yl)-N-(cyclopropylmethyl)aniline
CID 112722051
N-[4-[[(2R)-2-cyanomorpholin-4-yl]methyl]phenyl]methanesulfonamide
CID 95621715
N-[(1-benzyl-4-hydroxy-4-methylpiperidin-3-yl)methyl]methanesulfonamide
CID 139343550
4-(anilinomethyl)-1-benzyl-3-phenylimidazolidin-2-one
CID 102042871
N-[[(2R)-4-benzyl-1,4-oxazepan-2-yl]methyl]methanesulfonamide
CID 124623968
N-[2-(4-benzylpiperazine-1-carbonyl)phenyl]methanesulfonamide
CID 2983757
4-[[4-[4-(methanesulfonamido)phenoxy]phenyl]methyl]-N-phenylpiperazine-1-carboxamide
CID 67037713
4-[[4-benzyl-1-(4-propan-2-ylphenyl)piperazin-2-yl]methoxy]benzenesulfonamide
CID 67086831

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-benzyl-1-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[(4-benzyl-1-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide (CID 14998813) is N-[4-[(4-benzyl-1-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[(4-benzyl-1-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[(4-benzyl-1-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(NCC2CN(Cc3ccccc3)CCN2c2ccccc2)cc1.
What is the InChIKey of N-[4-[(4-benzyl-1-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide?
The InChIKey is SYWQXBQXJVFEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N4O2S/c1-32(30,31)27-23-14-12-22(13-15-23)26-18-25-20-28(19-21-8-4-2-5-9-21)16-17-29(25)24-10-6-3-7-11-24/h2-15,25-27H,16-20H2,1H3.
What are the key properties of N-[4-[(4-benzyl-1-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide?
N-[4-[(4-benzyl-1-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide has a molecular weight of 450.61 g/mol, XLogP of 3.86, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-benzyl-1-phenylpiperazin-2-yl)methylamino]phenyl]methanesulfonamide is sourced from PubChem (CID 14998813), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).