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

C26H30N2O4S — CID 10139868

IUPACN-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2cccc(OC)c2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H30N2O4S/c1-31-24-11-13-26(14-12-24)33(29,30)28(23-9-6-10-25(19-23)32-2)22-15-17-27(18-16-22)20-21-7-4-3-5-8-21/h3-14,19,22H,15-18,20H2,1-2H3
InChIKeyNIAHQXDHGCLREP-UHFFFAOYSA-N
MW466.60 g/mol
LogP4.56
Rot. Bonds8

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

N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide (PubChem CID 10139868) has the molecular formula C26H30N2O4S and a molecular weight of 466.60 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
PubChem CID10139868
Molecular FormulaC26H30N2O4S
Molecular Weight466.60 g/mol
Exact Mass466.19
IUPAC NameN-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(c2cccc(OC)c2)C2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C26H30N2O4S/c1-31-24-11-13-26(14-12-24)33(29,30)28(23-9-6-10-25(19-23)32-2)22-15-17-27(18-16-22)20-21-7-4-3-5-8-21/h3-14,19,22H,15-18,20H2,1-2H3
InChIKeyNIAHQXDHGCLREP-UHFFFAOYSA-N
XLogP4.56
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.60
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-methoxy-N-(3-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 10278440
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methylphenyl)benzenesulfonamide
CID 10138825
N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 10300730
N-(3-methoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 42858646
N-(1-benzylpiperidin-3-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 10113916
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46048365
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46048407
N-(1-benzylpiperidin-4-yl)-N,4-diphenylbenzenesulfonamide
CID 10184484
4-methoxy-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
CID 90851608
N-[(1-benzylpiperidin-3-yl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 59098125
N-[1-[(2-ethoxyphenyl)methyl]piperidin-4-yl]-4-methoxy-N-[3-(trifluoromethoxy)phenyl]benzenesulfonamide
CID 59098124
4-chloro-N-(4-fluorophenyl)-N-[1-[(4-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46048430

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide (CID 10139868) is N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(c2cccc(OC)c2)C2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
The InChIKey is NIAHQXDHGCLREP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N2O4S/c1-31-24-11-13-26(14-12-24)33(29,30)28(23-9-6-10-25(19-23)32-2)22-15-17-27(18-16-22)20-21-7-4-3-5-8-21/h3-14,19,22H,15-18,20H2,1-2H3.
What are the key properties of N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide has a molecular weight of 466.60 g/mol, XLogP of 4.56, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 10139868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).