3-acetyl-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide

C19H22N2O4S — CID 90595569

IUPAC3-acetyl-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESCOC1CCN(c2ccc(NS(=O)(=O)c3cccc(C(C)=O)c3)cc2)C1
InChIInChI=1S/C19H22N2O4S/c1-14(22)15-4-3-5-19(12-15)26(23,24)20-16-6-8-17(9-7-16)21-11-10-18(13-21)25-2/h3-9,12,18,20H,10-11,13H2,1-2H3
InChIKeyMIFAFXYMIAJQOI-UHFFFAOYSA-N
MW374.46 g/mol
LogP2.92
Rot. Bonds6

About 3-acetyl-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide

3-acetyl-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 90595569) has the molecular formula C19H22N2O4S and a molecular weight of 374.46 g/mol. Its IUPAC name is 3-acetyl-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name3-acetyl-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
PubChem CID90595569
Molecular FormulaC19H22N2O4S
Molecular Weight374.46 g/mol
Exact Mass374.13
IUPAC Name3-acetyl-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESCOC1CCN(c2ccc(NS(=O)(=O)c3cccc(C(C)=O)c3)cc2)C1
InChIInChI=1S/C19H22N2O4S/c1-14(22)15-4-3-5-19(12-15)26(23,24)20-16-6-8-17(9-7-16)21-11-10-18(13-21)25-2/h3-9,12,18,20H,10-11,13H2,1-2H3
InChIKeyMIFAFXYMIAJQOI-UHFFFAOYSA-N
XLogP2.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.46
LogP ≤ 52.92
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

N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-[(3-methylphenyl)sulfonylamino]benzamide
CID 90595351
4-[(3-fluorophenyl)sulfonylamino]-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141504
4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595634
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-methoxypyrrolidin-1-yl)phenyl]-1-[(3-methylphenyl)sulfonylamino]cyclohexane-1-carboxamide
CID 90595353
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzamide
CID 71809538
3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
CID 90595972
2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595596
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,6-trimethylbenzenesulfonamide
CID 121141771
N-[4-(3-methoxypiperidin-1-yl)phenyl]-2,4,5-trimethylbenzenesulfonamide
CID 121141772
3-acetyl-N-[4-(3,3-dimethylmorpholin-4-yl)phenyl]benzenesulfonamide
CID 110637706

Frequently Asked Questions

What is the IUPAC name of 3-acetyl-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 3-acetyl-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide (CID 90595569) is 3-acetyl-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 3-acetyl-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 3-acetyl-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide is COC1CCN(c2ccc(NS(=O)(=O)c3cccc(C(C)=O)c3)cc2)C1.
What is the InChIKey of 3-acetyl-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is MIFAFXYMIAJQOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N2O4S/c1-14(22)15-4-3-5-19(12-15)26(23,24)20-16-6-8-17(9-7-16)21-11-10-18(13-21)25-2/h3-9,12,18,20H,10-11,13H2,1-2H3.
What are the key properties of 3-acetyl-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide?
3-acetyl-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 374.46 g/mol, XLogP of 2.92, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetyl-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 90595569), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).