N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide

C19H24N2O3S — CID 90595556

IUPACN-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide
SMILESCOC1CCN(c2ccc(NS(=O)(=O)CCc3ccccc3)cc2)C1
InChIInChI=1S/C19H24N2O3S/c1-24-19-11-13-21(15-19)18-9-7-17(8-10-18)20-25(22,23)14-12-16-5-3-2-4-6-16/h2-10,19-20H,11-15H2,1H3
InChIKeyLJUNIQYGKYXSRH-UHFFFAOYSA-N
MW360.48 g/mol
LogP2.90
Rot. Bonds7

About N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide

N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide (PubChem CID 90595556) has the molecular formula C19H24N2O3S and a molecular weight of 360.48 g/mol. Its IUPAC name is N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide
PubChem CID90595556
Molecular FormulaC19H24N2O3S
Molecular Weight360.48 g/mol
Exact Mass360.15
IUPAC NameN-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide
SMILESCOC1CCN(c2ccc(NS(=O)(=O)CCc3ccccc3)cc2)C1
InChIInChI=1S/C19H24N2O3S/c1-24-19-11-13-21(15-19)18-9-7-17(8-10-18)20-25(22,23)14-12-16-5-3-2-4-6-16/h2-10,19-20H,11-15H2,1H3
InChIKeyLJUNIQYGKYXSRH-UHFFFAOYSA-N
XLogP2.90
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.48
LogP ≤ 52.90
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

2-(4-methoxyphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]ethanesulfonamide
CID 121141795
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-phenoxypropane-1-sulfonamide
CID 121141858
1-(3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]methanesulfonamide
CID 90595560
1-(3-chlorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]methanesulfonamide
CID 90595959
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595634
3-acetyl-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595569
3-methoxy-1-phenylpiperidine
CID 70382121
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-(4-phenylmethoxyphenyl)propanamide
CID 121141530
N-[4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]-2-phenylethanesulfonamide
CID 112989587
2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595596
4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
CID 121141816

Frequently Asked Questions

What is the IUPAC name of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide (CID 90595556) is N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide is COC1CCN(c2ccc(NS(=O)(=O)CCc3ccccc3)cc2)C1.
What is the InChIKey of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide?
The InChIKey is LJUNIQYGKYXSRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S/c1-24-19-11-13-21(15-19)18-9-7-17(8-10-18)20-25(22,23)14-12-16-5-3-2-4-6-16/h2-10,19-20H,11-15H2,1H3.
What are the key properties of N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide?
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide has a molecular weight of 360.48 g/mol, XLogP of 2.90, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 90595556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).