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

C27H32N2O4S — CID 59098125

IUPACN-[(1-benzylpiperidin-3-yl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CC2CCCN(Cc3ccccc3)C2)c2cccc(OC)c2)cc1
InChIInChI=1S/C27H32N2O4S/c1-32-25-13-15-27(16-14-25)34(30,31)29(24-11-6-12-26(18-24)33-2)21-23-10-7-17-28(20-23)19-22-8-4-3-5-9-22/h3-6,8-9,11-16,18,23H,7,10,17,19-21H2,1-2H3
InChIKeyYNYPSVLGASNNGT-UHFFFAOYSA-N
MW480.63 g/mol
LogP4.81
Rot. Bonds9

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

N-[(1-benzylpiperidin-3-yl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide (PubChem CID 59098125) has the molecular formula C27H32N2O4S and a molecular weight of 480.63 g/mol. Its IUPAC name is N-[(1-benzylpiperidin-3-yl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide.

Molecular Properties

Compound NameN-[(1-benzylpiperidin-3-yl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
PubChem CID59098125
Molecular FormulaC27H32N2O4S
Molecular Weight480.63 g/mol
Exact Mass480.21
IUPAC NameN-[(1-benzylpiperidin-3-yl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)N(CC2CCCN(Cc3ccccc3)C2)c2cccc(OC)c2)cc1
InChIInChI=1S/C27H32N2O4S/c1-32-25-13-15-27(16-14-25)34(30,31)29(24-11-6-12-26(18-24)33-2)21-23-10-7-17-28(20-23)19-22-8-4-3-5-9-22/h3-6,8-9,11-16,18,23H,7,10,17,19-21H2,1-2H3
InChIKeyYNYPSVLGASNNGT-UHFFFAOYSA-N
XLogP4.81
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.63
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-benzylpiperidin-3-yl)-N-(3-methoxyphenyl)benzenesulfonamide
CID 10113916
N-(1-benzylpiperidin-4-yl)-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 10139868
N-[(1-benzylpiperidin-3-yl)methyl]-7-methoxy-N-(2-methoxyethyl)naphthalene-2-sulfonamide
CID 178110631
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-benzyl-N-(3-methoxyphenyl)benzenesulfonamide
CID 24718071
N-benzyl-4-chloro-N-(3-methoxyphenyl)benzenesulfonamide
CID 46021774
3-(bromomethyl)-1-[(3-methoxyphenyl)methyl]piperidine
CID 80679418
N-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide
CID 10300730
4-(azepan-1-ylsulfonyl)-N-(3-methoxyphenyl)-N-[(4-methoxyphenyl)methyl]benzenesulfonamide
CID 1448179
N-[(3R)-1-[(3-methoxyphenyl)methyl]piperidin-3-yl]benzenesulfonamide
CID 95708462
(3R)-3-ethyl-1-[(4-methoxyphenyl)methyl]piperidine
CID 129394219

Frequently Asked Questions

What is the IUPAC name of N-[(1-benzylpiperidin-3-yl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
The IUPAC name of N-[(1-benzylpiperidin-3-yl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide (CID 59098125) is N-[(1-benzylpiperidin-3-yl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide.
What is the SMILES notation for N-[(1-benzylpiperidin-3-yl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
The canonical SMILES for N-[(1-benzylpiperidin-3-yl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide is COc1ccc(S(=O)(=O)N(CC2CCCN(Cc3ccccc3)C2)c2cccc(OC)c2)cc1.
What is the InChIKey of N-[(1-benzylpiperidin-3-yl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
The InChIKey is YNYPSVLGASNNGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N2O4S/c1-32-25-13-15-27(16-14-25)34(30,31)29(24-11-6-12-26(18-24)33-2)21-23-10-7-17-28(20-23)19-22-8-4-3-5-9-22/h3-6,8-9,11-16,18,23H,7,10,17,19-21H2,1-2H3.
What are the key properties of N-[(1-benzylpiperidin-3-yl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide?
N-[(1-benzylpiperidin-3-yl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide has a molecular weight of 480.63 g/mol, XLogP of 4.81, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-benzylpiperidin-3-yl)methyl]-4-methoxy-N-(3-methoxyphenyl)benzenesulfonamide is sourced from PubChem (CID 59098125), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).