2-phenyl-N-[2-(4-phenylpiperazin-1-yl)propyl]ethanesulfonamide

C21H29N3O2S — CID 60532275

IUPAC2-phenyl-N-[2-(4-phenylpiperazin-1-yl)propyl]ethanesulfonamide
SMILESCC(CNS(=O)(=O)CCc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H29N3O2S/c1-19(18-22-27(25,26)17-12-20-8-4-2-5-9-20)23-13-15-24(16-14-23)21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3
InChIKeyAIGGTJQTIXPXOA-UHFFFAOYSA-N
MW387.55 g/mol
LogP2.36
Rot. Bonds8

About 2-phenyl-N-[2-(4-phenylpiperazin-1-yl)propyl]ethanesulfonamide

2-phenyl-N-[2-(4-phenylpiperazin-1-yl)propyl]ethanesulfonamide (PubChem CID 60532275) has the molecular formula C21H29N3O2S and a molecular weight of 387.55 g/mol. Its IUPAC name is 2-phenyl-N-[2-(4-phenylpiperazin-1-yl)propyl]ethanesulfonamide.

Molecular Properties

Compound Name2-phenyl-N-[2-(4-phenylpiperazin-1-yl)propyl]ethanesulfonamide
PubChem CID60532275
Molecular FormulaC21H29N3O2S
Molecular Weight387.55 g/mol
Exact Mass387.20
IUPAC Name2-phenyl-N-[2-(4-phenylpiperazin-1-yl)propyl]ethanesulfonamide
SMILESCC(CNS(=O)(=O)CCc1ccccc1)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C21H29N3O2S/c1-19(18-22-27(25,26)17-12-20-8-4-2-5-9-20)23-13-15-24(16-14-23)21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3
InChIKeyAIGGTJQTIXPXOA-UHFFFAOYSA-N
XLogP2.36
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.55
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(oxan-4-yl)-N-[2-(4-phenylpiperazin-1-yl)propyl]methanesulfonamide
CID 126785175
N-(2-hydroxypropyl)-2-phenylethanesulfonamide
CID 43502342
3-(4-ethylphenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 55695053
3,4-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 42960746
3-[4-(diethylsulfamoyl)phenyl]-N-[(2R)-2-(4-phenylpiperazin-1-yl)propyl]propanamide
CID 51658596
N-[2-(2-methylphenyl)-2-pyrrolidin-1-ylethyl]-2-phenylethanesulfonamide
CID 112506478
2-(4-aminophenyl)-N-[2-(4-phenylpiperazin-1-yl)propyl]acetamide
CID 119902072
2-hydroxy-3-(2-phenylethylsulfonylamino)propanoic acid
CID 66167720
4-methyl-3-nitro-N-[2-(4-phenylpiperazin-1-yl)propyl]benzenesulfonamide
CID 46452675
N-[2-[4-(dimethylamino)phenyl]-2-(4-methylpiperazin-1-yl)ethyl]-2-phenylethanesulfonamide
CID 43957121
4-amino-N-[2-(4-phenylpiperazin-1-yl)propyl]pentanamide
CID 120566019
N-(2-aminobutyl)-2-phenylethanesulfonamide
CID 63731385

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[2-(4-phenylpiperazin-1-yl)propyl]ethanesulfonamide?
The IUPAC name of 2-phenyl-N-[2-(4-phenylpiperazin-1-yl)propyl]ethanesulfonamide (CID 60532275) is 2-phenyl-N-[2-(4-phenylpiperazin-1-yl)propyl]ethanesulfonamide.
What is the SMILES notation for 2-phenyl-N-[2-(4-phenylpiperazin-1-yl)propyl]ethanesulfonamide?
The canonical SMILES for 2-phenyl-N-[2-(4-phenylpiperazin-1-yl)propyl]ethanesulfonamide is CC(CNS(=O)(=O)CCc1ccccc1)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 2-phenyl-N-[2-(4-phenylpiperazin-1-yl)propyl]ethanesulfonamide?
The InChIKey is AIGGTJQTIXPXOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H29N3O2S/c1-19(18-22-27(25,26)17-12-20-8-4-2-5-9-20)23-13-15-24(16-14-23)21-10-6-3-7-11-21/h2-11,19,22H,12-18H2,1H3.
What are the key properties of 2-phenyl-N-[2-(4-phenylpiperazin-1-yl)propyl]ethanesulfonamide?
2-phenyl-N-[2-(4-phenylpiperazin-1-yl)propyl]ethanesulfonamide has a molecular weight of 387.55 g/mol, XLogP of 2.36, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[2-(4-phenylpiperazin-1-yl)propyl]ethanesulfonamide is sourced from PubChem (CID 60532275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).