N-(4-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylmethanesulfonamide

C12H17FN2O3S — CID 114840113

IUPACN-(4-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCOc1cc(NS(=O)(=O)CC2CCCN2)ccc1F
InChIInChI=1S/C12H17FN2O3S/c1-18-12-7-9(4-5-11(12)13)15-19(16,17)8-10-3-2-6-14-10/h4-5,7,10,14-15H,2-3,6,8H2,1H3
InChIKeyUJMZIIAVVYNKTE-UHFFFAOYSA-N
MW288.34 g/mol
LogP1.33
Rot. Bonds5

About N-(4-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylmethanesulfonamide

N-(4-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylmethanesulfonamide (PubChem CID 114840113) has the molecular formula C12H17FN2O3S and a molecular weight of 288.34 g/mol. Its IUPAC name is N-(4-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylmethanesulfonamide.

Molecular Properties

Compound NameN-(4-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylmethanesulfonamide
PubChem CID114840113
Molecular FormulaC12H17FN2O3S
Molecular Weight288.34 g/mol
Exact Mass288.09
IUPAC NameN-(4-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylmethanesulfonamide
SMILESCOc1cc(NS(=O)(=O)CC2CCCN2)ccc1F
InChIInChI=1S/C12H17FN2O3S/c1-18-12-7-9(4-5-11(12)13)15-19(16,17)8-10-3-2-6-14-10/h4-5,7,10,14-15H,2-3,6,8H2,1H3
InChIKeyUJMZIIAVVYNKTE-UHFFFAOYSA-N
XLogP1.33
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.34
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The IUPAC name of N-(4-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylmethanesulfonamide (CID 114840113) is N-(4-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylmethanesulfonamide.
What is the SMILES notation for N-(4-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The canonical SMILES for N-(4-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylmethanesulfonamide is COc1cc(NS(=O)(=O)CC2CCCN2)ccc1F.
What is the InChIKey of N-(4-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylmethanesulfonamide?
The InChIKey is UJMZIIAVVYNKTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17FN2O3S/c1-18-12-7-9(4-5-11(12)13)15-19(16,17)8-10-3-2-6-14-10/h4-5,7,10,14-15H,2-3,6,8H2,1H3.
What are the key properties of N-(4-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylmethanesulfonamide?
N-(4-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylmethanesulfonamide has a molecular weight of 288.34 g/mol, XLogP of 1.33, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-fluoro-3-methoxyphenyl)-1-pyrrolidin-2-ylmethanesulfonamide is sourced from PubChem (CID 114840113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).