4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide

C20H26N2O2S — CID 16891081

IUPAC4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H26N2O2S/c1-17-5-11-20(12-6-17)25(23,24)21-14-13-18-7-9-19(10-8-18)22-15-3-2-4-16-22/h5-12,21H,2-4,13-16H2,1H3
InChIKeyRYLRVCAILJHWJR-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.51
Rot. Bonds6

About 4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide

4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide (PubChem CID 16891081) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide
PubChem CID16891081
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCCc2ccc(N3CCCCC3)cc2)cc1
InChIInChI=1S/C20H26N2O2S/c1-17-5-11-20(12-6-17)25(23,24)21-14-13-18-7-9-19(10-8-18)22-15-3-2-4-16-22/h5-12,21H,2-4,13-16H2,1H3
InChIKeyRYLRVCAILJHWJR-UHFFFAOYSA-N
XLogP3.51
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 ≤ 53.51
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

N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16890531
4-methoxy-3,5-dimethyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzenesulfonamide
CID 16890547
4-ethoxy-3-methyl-N-[2-(4-pyrrolidin-1-ylphenyl)ethyl]benzenesulfonamide
CID 16890546
1-(4-methylphenyl)-N-[3-(4-piperidin-1-ylphenyl)propyl]methanesulfonamide
CID 16891200
4-bromo-N-[3-(4-pyrrolidin-1-ylphenyl)propyl]benzenesulfonamide
CID 16890912
N-[2-[4-(azepan-1-yl)phenyl]ethyl]-3-chlorobenzenesulfonamide
CID 16890345
4-fluoro-N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]benzenesulfonamide
CID 16890263
N-[2-(4-hydroxyphenyl)ethyl]-4-methylbenzenesulfonamide
CID 10424386
N-[3-[4-(azepan-1-yl)phenyl]propyl]-4-methoxy-3-methylbenzenesulfonamide
CID 16890780
N-[2-(4-tert-butylphenyl)ethyl]-4-methylbenzenesulfonamide
CID 171485871
N-[2-[4-(azepan-1-yl)phenyl]ethyl]thiophene-2-sulfonamide
CID 16890340
N-[2-[4-(4-methylpiperazin-1-yl)phenyl]ethyl]-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 16890289

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide (CID 16891081) is 4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)NCCc2ccc(N3CCCCC3)cc2)cc1.
What is the InChIKey of 4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide?
The InChIKey is RYLRVCAILJHWJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-17-5-11-20(12-6-17)25(23,24)21-14-13-18-7-9-19(10-8-18)22-15-3-2-4-16-22/h5-12,21H,2-4,13-16H2,1H3.
What are the key properties of 4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide?
4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide has a molecular weight of 358.51 g/mol, XLogP of 3.51, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(4-piperidin-1-ylphenyl)ethyl]benzenesulfonamide is sourced from PubChem (CID 16891081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).