N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide

C19H24N2O3S — CID 95708462

IUPACN-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide
SMILESCOc1cccc(CN2CCC[C@@H](NS(=O)(=O)c3ccccc3)C2)c1
InChIInChI=1S/C19H24N2O3S/c1-24-18-9-5-7-16(13-18)14-21-12-6-8-17(15-21)20-25(22,23)19-10-3-2-4-11-19/h2-5,7,9-11,13,17,20H,6,8,12,14-15H2,1H3/t17-/m1/s1
InChIKeyKZIPMHWJAOAHPH-QGZVFWFLSA-N
MW360.48 g/mol
LogP2.64
Rot. Bonds6

About N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide

N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide (PubChem CID 95708462) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide
PubChem CID95708462
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide
SMILESCOc1cccc(CN2CCC[C@@H](NS(=O)(=O)c3ccccc3)C2)c1
InChIInChI=1S/C19H24N2O3S/c1-24-18-9-5-7-16(13-18)14-21-12-6-8-17(15-21)20-25(22,23)19-10-3-2-4-11-19/h2-5,7,9-11,13,17,20H,6,8,12,14-15H2,1H3/t17-/m1/s1
InChIKeyKZIPMHWJAOAHPH-QGZVFWFLSA-N
XLogP2.64
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S)-1-[[3-(2-hydroxyethoxy)phenyl]methyl]pyrrolidin-3-yl]-4-methoxybenzenesulfonamide
CID 25035195
N-(1-benzylpyrrolidin-3-yl)benzenesulfonamide
CID 51169833
N-(1-benzylpiperidin-3-yl)-4-methoxy-3-nitrobenzenesulfonamide
CID 55682147
1-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylethanamine
CID 63852701
2-chloro-N-[(3S)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzamide
CID 25449017
1-[(3-methoxyphenyl)methyl]-N-methylpyrrolidin-3-amine
CID 61029194
ethane;N-(1-ethylpiperidin-3-yl)benzenesulfonamide;molecular hydrogen
CID 162749983
4-amino-N-(1-benzylpiperidin-3-yl)-3-fluorobenzenesulfonamide
CID 113343263
N-(1-benzylpiperidin-3-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 10113916
3-N-(1-benzylpyrrolidin-3-yl)benzene-1,3-disulfonamide
CID 55512031
N-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
CID 163346524
N-[1-[(2,5-dimethoxyphenyl)methyl]pyrrolidin-3-yl]-3-methylbenzenesulfonamide
CID 6736919

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide?
The IUPAC name of N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide (CID 95708462) is N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide.
What is the SMILES notation for N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide?
The canonical SMILES for N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide is COc1cccc(CN2CCC[C@@H](NS(=O)(=O)c3ccccc3)C2)c1.
What is the InChIKey of N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide?
The InChIKey is KZIPMHWJAOAHPH-QGZVFWFLSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-24-18-9-5-7-16(13-18)14-21-12-6-8-17(15-21)20-25(22,23)19-10-3-2-4-11-19/h2-5,7,9-11,13,17,20H,6,8,12,14-15H2,1H3/t17-/m1/s1.
What are the key properties of N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide?
N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 2.64, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide is sourced from PubChem (CID 95708462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).