N-(3,4-dimethoxyphenyl)-N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide

C28H34N2O6S — CID 46055209

IUPACN-(3,4-dimethoxyphenyl)-N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
SMILESCOc1ccc(N(C2CCN(Cc3cccc(OC)c3OC)CC2)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C28H34N2O6S/c1-33-25-14-13-23(19-27(25)35-3)30(37(31,32)24-10-6-5-7-11-24)22-15-17-29(18-16-22)20-21-9-8-12-26(34-2)28(21)36-4/h5-14,19,22H,15-18,20H2,1-4H3
InChIKeyHLXWDMSRROCLKV-UHFFFAOYSA-N
MW526.66 g/mol
LogP4.58
Rot. Bonds10

About N-(3,4-dimethoxyphenyl)-N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide

N-(3,4-dimethoxyphenyl)-N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide (PubChem CID 46055209) has the molecular formula C28H34N2O6S and a molecular weight of 526.66 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
PubChem CID46055209
Molecular FormulaC28H34N2O6S
Molecular Weight526.66 g/mol
Exact Mass526.21
IUPAC NameN-(3,4-dimethoxyphenyl)-N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
SMILESCOc1ccc(N(C2CCN(Cc3cccc(OC)c3OC)CC2)S(=O)(=O)c2ccccc2)cc1OC
InChIInChI=1S/C28H34N2O6S/c1-33-25-14-13-23(19-27(25)35-3)30(37(31,32)24-10-6-5-7-11-24)22-15-17-29(18-16-22)20-21-9-8-12-26(34-2)28(21)36-4/h5-14,19,22H,15-18,20H2,1-4H3
InChIKeyHLXWDMSRROCLKV-UHFFFAOYSA-N
XLogP4.58
TPSA77.54 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500526.66
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze N-(3,4-dimethoxyphenyl)-N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide with MolForge

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Related Compounds

N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-fluoro-N-(4-methylphenyl)benzenesulfonamide
CID 46055255
N-(1,3-benzodioxol-5-yl)-N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methylbenzenesulfonamide
CID 46055298
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46048408
N-(3,4-dimethoxyphenyl)-4-fluoro-N-[1-[(3-nitrophenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 42853460
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 10139868
N-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 59098124
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 10138825
N-(3-methoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 42858646
N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-phenylbenzamide
CID 46054270
N-benzyl-1-[(2,3-dimethoxyphenyl)methyl]-N-ethylpiperidin-4-amine;oxalic acid
CID 17369350
4-methoxy-N-(3-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 10278440
4-fluoro-N-[1-[(4-hydroxy-3-methoxyphenyl)methyl]piperidin-4-yl]-N-phenylbenzenesulfonamide
CID 46055350

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide (CID 46055209) is N-(3,4-dimethoxyphenyl)-N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide is COc1ccc(N(C2CCN(Cc3cccc(OC)c3OC)CC2)S(=O)(=O)c2ccccc2)cc1OC.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
The InChIKey is HLXWDMSRROCLKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N2O6S/c1-33-25-14-13-23(19-27(25)35-3)30(37(31,32)24-10-6-5-7-11-24)22-15-17-29(18-16-22)20-21-9-8-12-26(34-2)28(21)36-4/h5-14,19,22H,15-18,20H2,1-4H3.
What are the key properties of N-(3,4-dimethoxyphenyl)-N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide?
N-(3,4-dimethoxyphenyl)-N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide has a molecular weight of 526.66 g/mol, XLogP of 4.58, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide is sourced from PubChem (CID 46055209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).