4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide

C20H26N2O4S — CID 121141816

IUPAC4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(N3CCCC(OC)C3)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-3-26-18-10-12-20(13-11-18)27(23,24)21-16-6-8-17(9-7-16)22-14-4-5-19(15-22)25-2/h6-13,19,21H,3-5,14-15H2,1-2H3
InChIKeyZPLTWUWBFLRXGZ-UHFFFAOYSA-N
MW390.51 g/mol
LogP3.50
Rot. Bonds7

About 4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide

4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 121141816) has the molecular formula C20H26N2O4S and a molecular weight of 390.51 g/mol. Its IUPAC name is 4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
PubChem CID121141816
Molecular FormulaC20H26N2O4S
Molecular Weight390.51 g/mol
Exact Mass390.16
IUPAC Name4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
SMILESCCOc1ccc(S(=O)(=O)Nc2ccc(N3CCCC(OC)C3)cc2)cc1
InChIInChI=1S/C20H26N2O4S/c1-3-26-18-10-12-20(13-11-18)27(23,24)21-16-6-8-17(9-7-16)22-14-4-5-19(15-22)25-2/h6-13,19,21H,3-5,14-15H2,1-2H3
InChIKeyZPLTWUWBFLRXGZ-UHFFFAOYSA-N
XLogP3.50
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-ethoxyphenoxy)-N-[4-(3-methoxypiperidin-1-yl)phenyl]acetamide
CID 121141474
5-ethyl-N-[4-(3-methoxypiperidin-1-yl)phenyl]thiophene-2-sulfonamide
CID 121141761
4-ethoxy-3-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 71809628
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90595606
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-phenoxypropane-1-sulfonamide
CID 121141858
4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595634
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
2-(4-methoxyphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]ethanesulfonamide
CID 121141795
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,5-dimethylbenzenesulfonamide
CID 121141754
4-ethoxy-N-(4-methoxyphenyl)benzenesulfonamide
CID 4202178
4-ethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]-3-methylbenzenesulfonamide
CID 90595968

Frequently Asked Questions

What is the IUPAC name of 4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide (CID 121141816) is 4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide is CCOc1ccc(S(=O)(=O)Nc2ccc(N3CCCC(OC)C3)cc2)cc1.
What is the InChIKey of 4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is ZPLTWUWBFLRXGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O4S/c1-3-26-18-10-12-20(13-11-18)27(23,24)21-16-6-8-17(9-7-16)22-14-4-5-19(15-22)25-2/h6-13,19,21H,3-5,14-15H2,1-2H3.
What are the key properties of 4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide?
4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 390.51 g/mol, XLogP of 3.50, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 121141816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).