N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide

C20H26N2O3S — CID 121141754

IUPACN-[4-(3-methoxypiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCOC1CCCN(c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)C1
InChIInChI=1S/C20H26N2O3S/c1-15-6-7-16(2)20(13-15)26(23,24)21-17-8-10-18(11-9-17)22-12-4-5-19(14-22)25-3/h6-11,13,19,21H,4-5,12,14H2,1-3H3
InChIKeyIQQAAWCFDJMIHI-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.72
Rot. Bonds5

About N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide

N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide (PubChem CID 121141754) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide.

Molecular Properties

Compound NameN-[4-(3-methoxypiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
PubChem CID121141754
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[4-(3-methoxypiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
SMILESCOC1CCCN(c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)C1
InChIInChI=1S/C20H26N2O3S/c1-15-6-7-16(2)20(13-15)26(23,24)21-17-8-10-18(11-9-17)22-12-4-5-19(14-22)25-3/h6-11,13,19,21H,4-5,12,14H2,1-3H3
InChIKeyIQQAAWCFDJMIHI-UHFFFAOYSA-N
XLogP3.72
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,5-trimethylbenzenesulfonamide
CID 121141772
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 121141771
3-methoxy-1-(4-methylphenyl)piperidine
CID 167437498
5-ethyl-N-[4-(3-methoxypiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 121141761
4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
CID 121141816
2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595596
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-[(3-methylphenyl)sulfonylamino]benzamide
CID 90595351
2,5-dimethyl-N-[[4-(3-methylpiperidin-1-yl)phenyl]methyl]benzenesulfonamide
CID 132655966
4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595634
4-[(3-fluorophenyl)sulfonylamino]-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141504
2-(4-methoxyphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]ethanesulfonamide
CID 121141795
3-(3,4-dimethylphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]propanamide
CID 121141552

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
The IUPAC name of N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide (CID 121141754) is N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide.
What is the SMILES notation for N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
The canonical SMILES for N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide is COC1CCCN(c2ccc(NS(=O)(=O)c3cc(C)ccc3C)cc2)C1.
What is the InChIKey of N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
The InChIKey is IQQAAWCFDJMIHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15-6-7-16(2)20(13-15)26(23,24)21-17-8-10-18(11-9-17)22-12-4-5-19(14-22)25-3/h6-11,13,19,21H,4-5,12,14H2,1-3H3.
What are the key properties of N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide?
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide has a molecular weight of 374.51 g/mol, XLogP of 3.72, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide is sourced from PubChem (CID 121141754), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).