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

C23H23FN2O3S — CID 90595634

IUPAC4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESCOC1CCN(c2ccc(NS(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)cc2)C1
InChIInChI=1S/C23H23FN2O3S/c1-29-22-14-15-26(16-22)21-10-8-20(9-11-21)25-30(27,28)23-12-4-18(5-13-23)17-2-6-19(24)7-3-17/h2-13,22,25H,14-16H2,1H3
InChIKeyVGHFKXBOMLRCLR-UHFFFAOYSA-N
MW426.51 g/mol
LogP4.52
Rot. Bonds6

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

4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide (PubChem CID 90595634) has the molecular formula C23H23FN2O3S and a molecular weight of 426.51 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide.

Molecular Properties

Compound Name4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
PubChem CID90595634
Molecular FormulaC23H23FN2O3S
Molecular Weight426.51 g/mol
Exact Mass426.14
IUPAC Name4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
SMILESCOC1CCN(c2ccc(NS(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)cc2)C1
InChIInChI=1S/C23H23FN2O3S/c1-29-22-14-15-26(16-22)21-10-8-20(9-11-21)25-30(27,28)23-12-4-18(5-13-23)17-2-6-19(24)7-3-17/h2-13,22,25H,14-16H2,1H3
InChIKeyVGHFKXBOMLRCLR-UHFFFAOYSA-N
XLogP4.52
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.51
LogP ≤ 54.52
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-methoxypyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90595606
4-ethoxy-3-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 71809628
4-ethoxy-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
CID 121141816
3-acetyl-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595569
3,4-dimethoxy-N-[4-(4-methoxypiperidin-1-yl)phenyl]benzenesulfonamide
CID 90595972
1-(3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]methanesulfonamide
CID 90595560
2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595596
4-fluoro-N-[4-(4-methylpiperazin-4-ium-1-yl)phenyl]benzenesulfonamide
CID 6927654
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
4-[(3-fluorophenyl)sulfonylamino]-N-[4-(3-methoxypiperidin-1-yl)phenyl]benzamide
CID 121141504
4-fluoro-N-[4-[4-(2-methoxyethyl)piperazin-1-yl]phenyl]benzenesulfonamide
CID 110288174

Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide?
The IUPAC name of 4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide (CID 90595634) is 4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide.
What is the SMILES notation for 4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide?
The canonical SMILES for 4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide is COC1CCN(c2ccc(NS(=O)(=O)c3ccc(-c4ccc(F)cc4)cc3)cc2)C1.
What is the InChIKey of 4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide?
The InChIKey is VGHFKXBOMLRCLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23FN2O3S/c1-29-22-14-15-26(16-22)21-10-8-20(9-11-21)25-30(27,28)23-12-4-18(5-13-23)17-2-6-19(24)7-3-17/h2-13,22,25H,14-16H2,1H3.
What are the key properties of 4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide?
4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide has a molecular weight of 426.51 g/mol, XLogP of 4.52, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide is sourced from PubChem (CID 90595634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).