4-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]phenyl]benzenesulfonamide

C20H26N2O3S — CID 169372163

IUPAC4-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2OCC2CCCCN2C)cc1
InChIInChI=1S/C20H26N2O3S/c1-16-10-12-18(13-11-16)26(23,24)21-19-8-3-4-9-20(19)25-15-17-7-5-6-14-22(17)2/h3-4,8-13,17,21H,5-7,14-15H2,1-2H3
InChIKeyMEOCWEGHBUZDHZ-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.66
Rot. Bonds6

About 4-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]phenyl]benzenesulfonamide

4-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]phenyl]benzenesulfonamide (PubChem CID 169372163) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]phenyl]benzenesulfonamide
PubChem CID169372163
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name4-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]phenyl]benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)Nc2ccccc2OCC2CCCCN2C)cc1
InChIInChI=1S/C20H26N2O3S/c1-16-10-12-18(13-11-16)26(23,24)21-19-8-3-4-9-20(19)25-15-17-7-5-6-14-22(17)2/h3-4,8-13,17,21H,5-7,14-15H2,1-2H3
InChIKeyMEOCWEGHBUZDHZ-UHFFFAOYSA-N
XLogP3.66
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
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

4-methyl-N-[2-(2-piperidin-1-ylethoxy)phenyl]benzenesulfonamide
CID 169370607
N-[2-(2-hydroxyethoxy)phenyl]-4-methylbenzenesulfonamide
CID 169372164
5-methyl-2-[(1-methylpiperidin-2-yl)methoxy]aniline
CID 65472061
4-methyl-N-(1-methylpiperidin-2-yl)benzenesulfonamide
CID 57066316
5-methyl-2-[(1-methylpyrrolidin-2-yl)methoxy]aniline
CID 67256044
2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]benzoic acid
CID 170367933
N-cyclopentyl-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062446
6-[(1-methylpiperidin-2-yl)methoxy]pyridine-3-sulfonamide
CID 112572780
N-[2-[2-[2-(2-azidoethoxy)ethoxy]ethoxy]phenyl]-4-methylbenzenesulfonamide
CID 2748883
2-[2-(2-methoxyphenyl)ethyl]-1-(4-methylphenyl)sulfonylpiperidine
CID 155269120
2-(aminomethyl)-N-(2-ethoxyphenyl)piperidine-1-sulfonamide
CID 106048934
4-ethoxy-N-(2-ethoxyphenyl)benzenesulfonamide
CID 7559506

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]phenyl]benzenesulfonamide?
The IUPAC name of 4-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]phenyl]benzenesulfonamide (CID 169372163) is 4-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]phenyl]benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]phenyl]benzenesulfonamide?
The canonical SMILES for 4-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]phenyl]benzenesulfonamide is Cc1ccc(S(=O)(=O)Nc2ccccc2OCC2CCCCN2C)cc1.
What is the InChIKey of 4-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]phenyl]benzenesulfonamide?
The InChIKey is MEOCWEGHBUZDHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-16-10-12-18(13-11-16)26(23,24)21-19-8-3-4-9-20(19)25-15-17-7-5-6-14-22(17)2/h3-4,8-13,17,21H,5-7,14-15H2,1-2H3.
What are the key properties of 4-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]phenyl]benzenesulfonamide?
4-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]phenyl]benzenesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 3.66, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[2-[(1-methylpiperidin-2-yl)methoxy]phenyl]benzenesulfonamide is sourced from PubChem (CID 169372163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).