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

C25H28N2O3S — CID 10113916

IUPACN-(1-benzylpiperidin-3-yl)-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(N(C2CCCN(Cc3ccccc3)C2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C25H28N2O3S/c1-30-24-14-8-12-22(18-24)27(31(28,29)25-15-6-3-7-16-25)23-13-9-17-26(20-23)19-21-10-4-2-5-11-21/h2-8,10-12,14-16,18,23H,9,13,17,19-20H2,1H3
InChIKeyVPSMXLPHXRHQAE-UHFFFAOYSA-N
MW436.58 g/mol
LogP4.56
Rot. Bonds7

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

N-(1-benzylpiperidin-3-yl)-N-(3-methoxyphenyl)benzenesulfonamide (PubChem CID 10113916) has the molecular formula C25H28N2O3S and a molecular weight of 436.58 g/mol. Its IUPAC name is N-(1-benzylpiperidin-3-yl)-N-(3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-(1-benzylpiperidin-3-yl)-N-(3-methoxyphenyl)benzenesulfonamide
PubChem CID10113916
Molecular FormulaC25H28N2O3S
Molecular Weight436.58 g/mol
Exact Mass436.18
IUPAC NameN-(1-benzylpiperidin-3-yl)-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1cccc(N(C2CCCN(Cc3ccccc3)C2)S(=O)(=O)c2ccccc2)c1
InChIInChI=1S/C25H28N2O3S/c1-30-24-14-8-12-22(18-24)27(31(28,29)25-15-6-3-7-16-25)23-13-9-17-26(20-23)19-21-10-4-2-5-11-21/h2-8,10-12,14-16,18,23H,9,13,17,19-20H2,1H3
InChIKeyVPSMXLPHXRHQAE-UHFFFAOYSA-N
XLogP4.56
TPSA49.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.58
LogP ≤ 54.56
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
N-(3-methoxyphenyl)-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]benzenesulfonamide
CID 42858646
4-methoxy-N-(3-methoxyphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 10278440
N-[(1-benzylpiperidin-3-yl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 59098125
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-[1-[(3-methoxyphenyl)methyl]piperidin-3-yl]-N-methylcyclopropanesulfonamide
CID 163346524
N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide
CID 95708462
N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 46048365
4-methoxy-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
CID 90851608
4-fluoro-N-(3-fluoro-4-methylphenyl)-N-[1-[(3-methoxyphenyl)methyl]piperidin-4-yl]benzenesulfonamide
CID 46048407
4-chloro-N-(3-methoxyphenyl)-N-[1-[(1R,2R)-2-phenylcyclohexyl]piperidin-4-yl]benzenesulfonamide
CID 91207633

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-3-yl)-N-(3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-(1-benzylpiperidin-3-yl)-N-(3-methoxyphenyl)benzenesulfonamide (CID 10113916) is N-(1-benzylpiperidin-3-yl)-N-(3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-(1-benzylpiperidin-3-yl)-N-(3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-(1-benzylpiperidin-3-yl)-N-(3-methoxyphenyl)benzenesulfonamide is COc1cccc(N(C2CCCN(Cc3ccccc3)C2)S(=O)(=O)c2ccccc2)c1.
What is the InChIKey of N-(1-benzylpiperidin-3-yl)-N-(3-methoxyphenyl)benzenesulfonamide?
The InChIKey is VPSMXLPHXRHQAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O3S/c1-30-24-14-8-12-22(18-24)27(31(28,29)25-15-6-3-7-16-25)23-13-9-17-26(20-23)19-21-10-4-2-5-11-21/h2-8,10-12,14-16,18,23H,9,13,17,19-20H2,1H3.
What are the key properties of N-(1-benzylpiperidin-3-yl)-N-(3-methoxyphenyl)benzenesulfonamide?
N-(1-benzylpiperidin-3-yl)-N-(3-methoxyphenyl)benzenesulfonamide has a molecular weight of 436.58 g/mol, XLogP of 4.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-3-yl)-N-(3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 10113916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).