N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide

C25H29N3O3S — CID 23604899

IUPACN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
SMILESCOc1ccccc1N1CCN(C(CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H29N3O3S/c1-31-25-15-9-8-14-23(25)27-16-18-28(19-17-27)24(21-10-4-2-5-11-21)20-26-32(29,30)22-12-6-3-7-13-22/h2-15,24,26H,16-20H2,1H3
InChIKeyRKEKVGQXQNBLGM-UHFFFAOYSA-N
MW451.59 g/mol
LogP3.54
Rot. Bonds8

About N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide

N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide (PubChem CID 23604899) has the molecular formula C25H29N3O3S and a molecular weight of 451.59 g/mol. Its IUPAC name is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
PubChem CID23604899
Molecular FormulaC25H29N3O3S
Molecular Weight451.59 g/mol
Exact Mass451.19
IUPAC NameN-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
SMILESCOc1ccccc1N1CCN(C(CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C25H29N3O3S/c1-31-25-15-9-8-14-23(25)27-16-18-28(19-17-27)24(21-10-4-2-5-11-21)20-26-32(29,30)22-12-6-3-7-13-22/h2-15,24,26H,16-20H2,1H3
InChIKeyRKEKVGQXQNBLGM-UHFFFAOYSA-N
XLogP3.54
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 ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide?
The IUPAC name of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide (CID 23604899) is N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide is COc1ccccc1N1CCN(C(CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide?
The InChIKey is RKEKVGQXQNBLGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N3O3S/c1-31-25-15-9-8-14-23(25)27-16-18-28(19-17-27)24(21-10-4-2-5-11-21)20-26-32(29,30)22-12-6-3-7-13-22/h2-15,24,26H,16-20H2,1H3.
What are the key properties of N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide?
N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide has a molecular weight of 451.59 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 23604899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).