N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylpropyl]benzenesulfonamide

C20H27N3O2S — CID 2314613

IUPACN-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylpropyl]benzenesulfonamide
SMILESCN1CCN([C@@](C)(CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H27N3O2S/c1-20(18-9-5-3-6-10-18,23-15-13-22(2)14-16-23)17-21-26(24,25)19-11-7-4-8-12-19/h3-12,21H,13-17H2,1-2H3/t20-/m0/s1
InChIKeySUXYCHFWURXVAF-FQEVSTJZSA-N
MW373.52 g/mol
LogP2.13
Rot. Bonds6

About N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylpropyl]benzenesulfonamide

N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylpropyl]benzenesulfonamide (PubChem CID 2314613) has the molecular formula C20H27N3O2S and a molecular weight of 373.52 g/mol. Its IUPAC name is N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylpropyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylpropyl]benzenesulfonamide
PubChem CID2314613
Molecular FormulaC20H27N3O2S
Molecular Weight373.52 g/mol
Exact Mass373.18
IUPAC NameN-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylpropyl]benzenesulfonamide
SMILESCN1CCN([C@@](C)(CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H27N3O2S/c1-20(18-9-5-3-6-10-18,23-15-13-22(2)14-16-23)17-21-26(24,25)19-11-7-4-8-12-19/h3-12,21H,13-17H2,1-2H3/t20-/m0/s1
InChIKeySUXYCHFWURXVAF-FQEVSTJZSA-N
XLogP2.13
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.52
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylpropyl]benzenesulfonamide?
The IUPAC name of N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylpropyl]benzenesulfonamide (CID 2314613) is N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylpropyl]benzenesulfonamide.
What is the SMILES notation for N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylpropyl]benzenesulfonamide?
The canonical SMILES for N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylpropyl]benzenesulfonamide is CN1CCN([C@@](C)(CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylpropyl]benzenesulfonamide?
The InChIKey is SUXYCHFWURXVAF-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H27N3O2S/c1-20(18-9-5-3-6-10-18,23-15-13-22(2)14-16-23)17-21-26(24,25)19-11-7-4-8-12-19/h3-12,21H,13-17H2,1-2H3/t20-/m0/s1.
What are the key properties of N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylpropyl]benzenesulfonamide?
N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylpropyl]benzenesulfonamide has a molecular weight of 373.52 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-methylpiperazin-1-yl)-2-phenylpropyl]benzenesulfonamide is sourced from PubChem (CID 2314613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).