4-methyl-N-[2-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide

C20H26N2O3S — CID 169370607

IUPAC4-methyl-N-[2-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2OCCN2CCCCC2)cc1
InChIInChI=1S/C20H26N2O3S/c1-17-9-11-18(12-10-17)26(23,24)21-19-7-3-4-8-20(19)25-16-15-22-13-5-2-6-14-22/h3-4,7-12,21H,2,5-6,13-16H2,1H3
InChIKeySARJJXCJPVYBPI-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.66
Rot. Bonds7

About 4-methyl-N-[2-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide

4-methyl-N-[2-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide (PubChem CID 169370607) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-methyl-N-[2-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide
PubChem CID169370607
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name4-methyl-N-[2-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2OCCN2CCCCC2)cc1
InChIInChI=1S/C20H26N2O3S/c1-17-9-11-18(12-10-17)26(23,24)21-19-7-3-4-8-20(19)25-16-15-22-13-5-2-6-14-22/h3-4,7-12,21H,2,5-6,13-16H2,1H3
InChIKeySARJJXCJPVYBPI-UHFFFAOYSA-N
XLogP3.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169372164
4-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]phenyl]benzenesulfonamide
CID 169372163
4-methyl-N-(2-pyrrolidin-1-ylethoxy)benzenesulfonamide
CID 110643099
N-[3-fluoro-4-(2-pyrrolidin-1-ylethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169371020
4-methyl-N-[3-(3-piperidin-1-ylpropoxy)pyrazin-2-yl]benzenesulfonamide
CID 23075878
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-4-methylbenzenesulfonamide
CID 2748883
1-[2-(2-methylphenoxy)ethyl]azepane;hydrochloride
CID 71576016
2-[2-(azocan-1-yl)ethoxy]aniline
CID 43174279
4-bromo-N-(2-propoxyphenyl)benzenesulfonamide
CID 26952096
1-[2-(2-methoxyphenoxy)ethyl]piperidine
CID 867242
1-[2-[2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethoxy]phenyl]ethanone
CID 27125267
N-[2-[3-(4-benzhydryloxypiperidin-1-yl)propoxy]phenyl]benzenesulfonamide
CID 19776812

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide (CID 169370607) is 4-methyl-N-[2-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2OCCN2CCCCC2)cc1.
What is the InChIKey of 4-methyl-N-[2-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide?
The InChIKey is SARJJXCJPVYBPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-17-9-11-18(12-10-17)26(23,24)21-19-7-3-4-8-20(19)25-16-15-22-13-5-2-6-14-22/h3-4,7-12,21H,2,5-6,13-16H2,1H3.
What are the key properties of 4-methyl-N-[2-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide?
4-methyl-N-[2-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 3.66, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide is sourced from PubChem (CID 169370607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).