N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide

C26H30N2O3S — CID 10138825

IUPACN-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2cccc(C)c2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H30N2O3S/c1-21-7-6-10-24(19-21)28(32(29,30)26-13-11-25(31-2)12-14-26)23-15-17-27(18-16-23)20-22-8-4-3-5-9-22/h3-14,19,23H,15-18,20H2,1-2H3
InChIKeyAWGDETNCQQVSEO-UHFFFAOYSA-N
MW450.60 g/mol
LogP4.86
Rot. Bonds7

About N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide

N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide (PubChem CID 10138825) has the molecular formula C26H30N2O3S and a molecular weight of 450.60 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
PubChem CID10138825
Molecular FormulaC26H30N2O3S
Molecular Weight450.60 g/mol
Exact Mass450.20
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2cccc(C)c2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H30N2O3S/c1-21-7-6-10-24(19-21)28(32(29,30)26-13-11-25(31-2)12-14-26)23-15-17-27(18-16-23)20-22-8-4-3-5-9-22/h3-14,19,23H,15-18,20H2,1-2H3
InChIKeyAWGDETNCQQVSEO-UHFFFAOYSA-N
XLogP4.86
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.60
LogP ≤ 54.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 10139868
4-methoxy-N-(3-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 10278440
N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 10300730
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46048365
N-(3-methoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 42858646
N-(1-benzylpiperidin-4-yl)-N-[(4-methoxyphenyl)methyl]-4-methylbenzenesulfonamide
CID 10205113
N-(1-benzylpiperidin-3-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 10113916
N-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide
CID 10184484
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46048407
4-chloro-N-(4-fluorophenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46048430
2-methoxy-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]-N-(3-methylphenyl)acetamide
CID 46159081
N-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 59098124

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide (CID 10138825) is N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(c2cccc(C)c2)C2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide?
The InChIKey is AWGDETNCQQVSEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O3S/c1-21-7-6-10-24(19-21)28(32(29,30)26-13-11-25(31-2)12-14-26)23-15-17-27(18-16-23)20-22-8-4-3-5-9-22/h3-14,19,23H,15-18,20H2,1-2H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide?
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide has a molecular weight of 450.60 g/mol, XLogP of 4.86, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide is sourced from PubChem (CID 10138825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).