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

C20H26N2O2S — CID 4794396

IUPACN-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide
SMILESCC1CCN(C(CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H26N2O2S/c1-17-12-14-22(15-13-17)20(18-8-4-2-5-9-18)16-21-25(23,24)19-10-6-3-7-11-19/h2-11,17,20-21H,12-16H2,1H3
InChIKeyRMHHFUVIIRTUFM-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.44
Rot. Bonds6

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

N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide (PubChem CID 4794396) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide
PubChem CID4794396
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide
SMILESCC1CCN(C(CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1
InChIInChI=1S/C20H26N2O2S/c1-17-12-14-22(15-13-17)20(18-8-4-2-5-9-18)16-21-25(23,24)19-10-6-3-7-11-19/h2-11,17,20-21H,12-16H2,1H3
InChIKeyRMHHFUVIIRTUFM-UHFFFAOYSA-N
XLogP3.44
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide?
The IUPAC name of N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide (CID 4794396) is N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide.
What is the SMILES notation for N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide?
The canonical SMILES for N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide is CC1CCN(C(CNS(=O)(=O)c2ccccc2)c2ccccc2)CC1.
What is the InChIKey of N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide?
The InChIKey is RMHHFUVIIRTUFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-17-12-14-22(15-13-17)20(18-8-4-2-5-9-18)16-21-25(23,24)19-10-6-3-7-11-19/h2-11,17,20-21H,12-16H2,1H3.
What are the key properties of N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide?
N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide has a molecular weight of 358.51 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-methylpiperidin-1-yl)-2-phenylethyl]benzenesulfonamide is sourced from PubChem (CID 4794396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).