N-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide

C26H28N2O4S — CID 984649

IUPACN-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)c1
InChIInChI=1S/C26H28N2O4S/c1-32-24-8-5-9-25(19-24)33(30,31)27-23-12-10-22(11-13-23)26(29)28-16-14-21(15-17-28)18-20-6-3-2-4-7-20/h2-13,19,21,27H,14-18H2,1H3
InChIKeyJCBSNJXYTFSTRY-UHFFFAOYSA-N
MW464.59 g/mol
LogP4.59
Rot. Bonds7

About N-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide

N-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide (PubChem CID 984649) has the molecular formula C26H28N2O4S and a molecular weight of 464.59 g/mol. Its IUPAC name is N-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
PubChem CID984649
Molecular FormulaC26H28N2O4S
Molecular Weight464.59 g/mol
Exact Mass464.18
IUPAC NameN-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
SMILESCOc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)c1
InChIInChI=1S/C26H28N2O4S/c1-32-24-8-5-9-25(19-24)33(30,31)27-23-12-10-22(11-13-23)26(29)28-16-14-21(15-17-28)18-20-6-3-2-4-7-20/h2-13,19,21,27H,14-18H2,1H3
InChIKeyJCBSNJXYTFSTRY-UHFFFAOYSA-N
XLogP4.59
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.59
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(azepane-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide
CID 984646
1-[4-[(3-methoxyphenyl)sulfonylamino]benzoyl]-N-(2-methylpropyl)piperidine-4-carboxamide
CID 20973116
4-[2-[(3-methoxyphenyl)methyl]pyrrolidine-1-carbonyl]-N-(4-methylphenyl)benzenesulfonamide
CID 55955903
1-(4-benzylpiperidin-1-yl)-2-(3-methoxyphenyl)ethanone
CID 127120206
3-[4-(cyclohexylmethyl)piperazine-1-carbonyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 55987572
3-(4-methylpiperidine-1-carbonyl)-N-(4-phenylmethoxyphenyl)benzenesulfonamide
CID 3916378
4-(4-aminopiperidine-1-carbonyl)-N-(4-methoxyphenyl)benzenesulfonamide
CID 119374457
N-[4-(4-benzylpiperidine-1-carbonyl)-3-chlorophenyl]benzenesulfonamide
CID 28632123
(4-benzylpiperidin-1-yl)-phenylmethanone
CID 796596
3-(4-benzylpiperidin-1-yl)-N-(3-methoxyphenyl)-3-oxopropanamide
CID 108952153
4-(4-benzylpiperidine-1-carbonyl)-N,N-dimethylbenzenesulfonamide
CID 9414267
N-(4-methoxyphenyl)-3-(4-methylpiperazine-1-carbonyl)benzenesulfonamide
CID 7908038

Frequently Asked Questions

What is the IUPAC name of N-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide?
The IUPAC name of N-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide (CID 984649) is N-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide.
What is the SMILES notation for N-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide?
The canonical SMILES for N-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide is COc1cccc(S(=O)(=O)Nc2ccc(C(=O)N3CCC(Cc4ccccc4)CC3)cc2)c1.
What is the InChIKey of N-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide?
The InChIKey is JCBSNJXYTFSTRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N2O4S/c1-32-24-8-5-9-25(19-24)33(30,31)27-23-12-10-22(11-13-23)26(29)28-16-14-21(15-17-28)18-20-6-3-2-4-7-20/h2-13,19,21,27H,14-18H2,1H3.
What are the key properties of N-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide?
N-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide has a molecular weight of 464.59 g/mol, XLogP of 4.59, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(4-benzylpiperidine-1-carbonyl)phenyl]-3-methoxybenzenesulfonamide is sourced from PubChem (CID 984649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).