4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide

C20H26N2O2S — CID 2784014

IUPAC4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C20H26N2O2S/c1-17-10-12-19(13-11-17)25(23,24)21-16-20(18-8-4-2-5-9-18)22-14-6-3-7-15-22/h2,4-5,8-13,20-21H,3,6-7,14-16H2,1H3
InChIKeyAUCNBBXCSKXRCT-UHFFFAOYSA-N
MW358.51 g/mol
LogP3.50
Rot. Bonds6

About 4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide

4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide (PubChem CID 2784014) has the molecular formula C20H26N2O2S and a molecular weight of 358.51 g/mol. Its IUPAC name is 4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
PubChem CID2784014
Molecular FormulaC20H26N2O2S
Molecular Weight358.51 g/mol
Exact Mass358.17
IUPAC Name4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)NCC(c2ccccc2)N2CCCCC2)cc1
InChIInChI=1S/C20H26N2O2S/c1-17-10-12-19(13-11-17)25(23,24)21-16-20(18-8-4-2-5-9-18)22-14-6-3-7-15-22/h2,4-5,8-13,20-21H,3,6-7,14-16H2,1H3
InChIKeyAUCNBBXCSKXRCT-UHFFFAOYSA-N
XLogP3.50
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 ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-methyl-N-[(2R)-2-phenyl-2-piperazin-1-ylethyl]benzenesulfonamide
CID 1103089
N-(2-phenyl-2-pyrrolidin-1-ylethyl)-4-piperidin-1-ylsulfonylbenzenesulfonamide
CID 55559247
N-[2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 4842592
N-[2-(azepan-1-yl)-2-thiophen-3-ylethyl]-4-methylbenzenesulfonamide
CID 16933238
4-methyl-N-(2-piperidin-1-yl-2-thiophen-3-ylethyl)benzenesulfonamide
CID 16932838
4-ethoxy-N-(2-phenyl-2-pyrrolidin-1-ylethyl)benzenesulfonamide
CID 134017270
1-(4-methylphenyl)sulfonyl-3-(2-phenyl-2-pyrrolidin-1-ylethyl)urea
CID 112503252
1-[(1R)-2-(4-methylphenyl)sulfonyl-1-phenylethyl]piperidine
CID 892041
N-[(2S)-2-[4-(2-cyanoethyl)piperazin-1-yl]-2-phenylethyl]-4-methylbenzenesulfonamide
CID 2261107
4-chloro-N-[(2S)-2-[4-[(1S)-2-[(4-chlorophenyl)sulfonylamino]-1-phenylethyl]piperazin-1-yl]-2-phenylethyl]benzenesulfonamide
CID 7067570
4-methyl-N-[2-(1-methyl-2,3-dihydroindol-5-yl)-2-piperidin-1-ylethyl]benzenesulfonamide
CID 16907906
N-[(2R)-2-[4-(4-methoxyphenyl)piperazin-1-yl]-2-phenylethyl]-4-methylbenzenesulfonamide
CID 33054641

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide (CID 2784014) is 4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)NCC(c2ccccc2)N2CCCCC2)cc1.
What is the InChIKey of 4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide?
The InChIKey is AUCNBBXCSKXRCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O2S/c1-17-10-12-19(13-11-17)25(23,24)21-16-20(18-8-4-2-5-9-18)22-14-6-3-7-15-22/h2,4-5,8-13,20-21H,3,6-7,14-16H2,1H3.
What are the key properties of 4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide?
4-methyl-N-(2-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide has a molecular weight of 358.51 g/mol, XLogP of 3.50, 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-phenyl-2-piperidin-1-ylethyl)benzenesulfonamide is sourced from PubChem (CID 2784014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).