N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzenesulfonamide

C20H26N2O2S — CID 56921459

IUPACN-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzenesulfonamide
SMILESCC1CCN(c2ccc(C(C)NS(=O)(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C20H26N2O2S/c1-16-12-14-22(15-13-16)19-10-8-18(9-11-19)17(2)21-25(23,24)20-6-4-3-5-7-20/h3-11,16-17,21H,12-15H2,1-2H3
InChIKeyHNJXLSIGNRVPCN-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.96
Rot. Bonds5

About N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzenesulfonamide

N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzenesulfonamide (PubChem CID 56921459) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzenesulfonamide
PubChem CID56921459
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC NameN-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzenesulfonamide
SMILESCC1CCN(c2ccc(C(C)NS(=O)(=O)c3ccccc3)cc2)CC1
InChIInChI=1S/C20H26N2O2S/c1-16-12-14-22(15-13-16)19-10-8-18(9-11-19)17(2)21-25(23,24)20-6-4-3-5-7-20/h3-11,16-17,21H,12-15H2,1-2H3
InChIKeyHNJXLSIGNRVPCN-UHFFFAOYSA-N
XLogP3.96
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.51
LogP ≤ 53.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

4-fluoro-3-methyl-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 100696059
N-methyl-1-[4-(4-methylpiperidin-1-yl)phenyl]ethanamine
CID 43283904
3-methyl-N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 133234607
N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-oxo-3-propan-2-yl-1,3-benzothiazole-6-sulfonamide
CID 100733167
N-(1-phenylethyl)benzenesulfonamide;hydrochloride
CID 70281153
(3S)-1-(benzenesulfonyl)-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]piperidine-3-carboxamide
CID 125071514
N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-1-propanoyl-2,3-dihydroindole-5-sulfonamide
CID 100758927
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-oxo-3-propyl-1,3-benzothiazole-6-sulfonamide
CID 133207640
3-[(2-chlorophenyl)methyl]-N-[(1S)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100756428
(2S)-2-(benzenesulfonamido)-N-[1-(4-morpholin-4-ylphenyl)ethyl]propanamide
CID 48681424
2-chloro-N-[5-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethylsulfamoyl]-1,3,4-thiadiazol-2-yl]benzamide
CID 133185016
3-[(4-chlorophenyl)methyl]-N-[(1R)-1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]-2-oxo-1,3-benzothiazole-6-sulfonamide
CID 100753105

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzenesulfonamide?
The IUPAC name of N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzenesulfonamide (CID 56921459) is N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzenesulfonamide.
What is the SMILES notation for N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzenesulfonamide?
The canonical SMILES for N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzenesulfonamide is CC1CCN(c2ccc(C(C)NS(=O)(=O)c3ccccc3)cc2)CC1.
What is the InChIKey of N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzenesulfonamide?
The InChIKey is HNJXLSIGNRVPCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-16-12-14-22(15-13-16)19-10-8-18(9-11-19)17(2)21-25(23,24)20-6-4-3-5-7-20/h3-11,16-17,21H,12-15H2,1-2H3.
What are the key properties of N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzenesulfonamide?
N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzenesulfonamide has a molecular weight of 358.51 g/mol, XLogP of 3.96, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(4-methylpiperidin-1-yl)phenyl]ethyl]benzenesulfonamide is sourced from PubChem (CID 56921459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).