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

C18H21FN2O3S — CID 90595560

IUPAC1-(3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]methanesulfonamide
SMILESCOC1CCN(c2ccc(NS(=O)(=O)Cc3cccc(F)c3)cc2)C1
InChIInChI=1S/C18H21FN2O3S/c1-24-18-9-10-21(12-18)17-7-5-16(6-8-17)20-25(22,23)13-14-3-2-4-15(19)11-14/h2-8,11,18,20H,9-10,12-13H2,1H3
InChIKeyCXVYTQNMGVNZSU-UHFFFAOYSA-N
MW364.44 g/mol
LogP2.99
Rot. Bonds6

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

1-(3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]methanesulfonamide (PubChem CID 90595560) has the molecular formula C18H21FN2O3S and a molecular weight of 364.44 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]methanesulfonamide
PubChem CID90595560
Molecular FormulaC18H21FN2O3S
Molecular Weight364.44 g/mol
Exact Mass364.13
IUPAC Name1-(3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]methanesulfonamide
SMILESCOC1CCN(c2ccc(NS(=O)(=O)Cc3cccc(F)c3)cc2)C1
InChIInChI=1S/C18H21FN2O3S/c1-24-18-9-10-21(12-18)17-7-5-16(6-8-17)20-25(22,23)13-14-3-2-4-15(19)11-14/h2-8,11,18,20H,9-10,12-13H2,1H3
InChIKeyCXVYTQNMGVNZSU-UHFFFAOYSA-N
XLogP2.99
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.44
LogP ≤ 52.99
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

1-(3-chlorophenyl)-N-[4-(4-methoxypiperidin-1-yl)phenyl]methanesulfonamide
CID 90595959
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-2-phenylethanesulfonamide
CID 90595556
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
3-acetyl-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595569
4-ethoxy-3-fluoro-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 71809628
N-[4-(3-methoxypiperidin-1-yl)phenyl]-3-phenoxypropane-1-sulfonamide
CID 121141858
2-(4-methoxyphenyl)-N-[4-(3-methoxypiperidin-1-yl)phenyl]ethanesulfonamide
CID 121141795
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-(trifluoromethoxy)benzenesulfonamide
CID 90595606
2,5-dimethoxy-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]benzenesulfonamide
CID 90595596
N-(cyclopropylmethyl)-1-(3-fluorophenyl)methanesulfonamide
CID 56513002
N-[4-(3-methoxypyrrolidin-1-yl)phenyl]-4-[(3-methylphenyl)sulfonylamino]benzamide
CID 90595351

Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]methanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]methanesulfonamide (CID 90595560) is 1-(3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]methanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]methanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]methanesulfonamide is COC1CCN(c2ccc(NS(=O)(=O)Cc3cccc(F)c3)cc2)C1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]methanesulfonamide?
The InChIKey is CXVYTQNMGVNZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN2O3S/c1-24-18-9-10-21(12-18)17-7-5-16(6-8-17)20-25(22,23)13-14-3-2-4-15(19)11-14/h2-8,11,18,20H,9-10,12-13H2,1H3.
What are the key properties of 1-(3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]methanesulfonamide?
1-(3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]methanesulfonamide has a molecular weight of 364.44 g/mol, XLogP of 2.99, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[4-(3-methoxypyrrolidin-1-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 90595560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).