N-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-3-sulfonamide

C12H17FN2O2S — CID 65421369

IUPACN-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-3-sulfonamide
SMILESCN(Cc1ccc(F)cc1)S(=O)(=O)C1CCNC1
InChIInChI=1S/C12H17FN2O2S/c1-15(9-10-2-4-11(13)5-3-10)18(16,17)12-6-7-14-8-12/h2-5,12,14H,6-9H2,1H3
InChIKeyRMUPMUMVOTWQGY-UHFFFAOYSA-N
MW272.34 g/mol
LogP0.95
Rot. Bonds4

About N-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-3-sulfonamide

N-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-3-sulfonamide (PubChem CID 65421369) has the molecular formula C12H17FN2O2S and a molecular weight of 272.34 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-3-sulfonamide.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-3-sulfonamide
PubChem CID65421369
Molecular FormulaC12H17FN2O2S
Molecular Weight272.34 g/mol
Exact Mass272.10
IUPAC NameN-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-3-sulfonamide
SMILESCN(Cc1ccc(F)cc1)S(=O)(=O)C1CCNC1
InChIInChI=1S/C12H17FN2O2S/c1-15(9-10-2-4-11(13)5-3-10)18(16,17)12-6-7-14-8-12/h2-5,12,14H,6-9H2,1H3
InChIKeyRMUPMUMVOTWQGY-UHFFFAOYSA-N
XLogP0.95
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.34
LogP ≤ 50.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-3-sulfonamide?
The IUPAC name of N-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-3-sulfonamide (CID 65421369) is N-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-3-sulfonamide.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-3-sulfonamide?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-3-sulfonamide is CN(Cc1ccc(F)cc1)S(=O)(=O)C1CCNC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-3-sulfonamide?
The InChIKey is RMUPMUMVOTWQGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O2S/c1-15(9-10-2-4-11(13)5-3-10)18(16,17)12-6-7-14-8-12/h2-5,12,14H,6-9H2,1H3.
What are the key properties of N-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-3-sulfonamide?
N-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-3-sulfonamide has a molecular weight of 272.34 g/mol, XLogP of 0.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-N-methylpyrrolidine-3-sulfonamide is sourced from PubChem (CID 65421369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).