2-fluoro-5-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide

C13H17FN2O4S — CID 64723144

IUPAC2-fluoro-5-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCOCC1CCN(C(=O)c2ccc(F)c(S(N)(=O)=O)c2)C1
InChIInChI=1S/C13H17FN2O4S/c1-20-8-9-4-5-16(7-9)13(17)10-2-3-11(14)12(6-10)21(15,18)19/h2-3,6,9H,4-5,7-8H2,1H3,(H2,15,18,19)
InChIKeyJFPKGPMMPKLZSG-UHFFFAOYSA-N
MW316.35 g/mol
LogP0.58
Rot. Bonds4

About 2-fluoro-5-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide

2-fluoro-5-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide (PubChem CID 64723144) has the molecular formula C13H17FN2O4S and a molecular weight of 316.35 g/mol. Its IUPAC name is 2-fluoro-5-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide.

Molecular Properties

Compound Name2-fluoro-5-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide
PubChem CID64723144
Molecular FormulaC13H17FN2O4S
Molecular Weight316.35 g/mol
Exact Mass316.09
IUPAC Name2-fluoro-5-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide
SMILESCOCC1CCN(C(=O)c2ccc(F)c(S(N)(=O)=O)c2)C1
InChIInChI=1S/C13H17FN2O4S/c1-20-8-9-4-5-16(7-9)13(17)10-2-3-11(14)12(6-10)21(15,18)19/h2-3,6,9H,4-5,7-8H2,1H3,(H2,15,18,19)
InChIKeyJFPKGPMMPKLZSG-UHFFFAOYSA-N
XLogP0.58
TPSA89.70 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.35
LogP ≤ 50.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-fluoro-3-nitrophenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64570122
2-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide
CID 64598036
(4-bromo-3-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 112705975
[3,5-difluoro-4-(methylamino)phenyl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64583162
(2-fluoro-4-pyridinyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 64570308
(3-bromo-4-methylphenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 79465138
(3-amino-2,6-difluorophenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 79772761
(4-amino-3-iodophenyl)-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 112750869
[3-(aminomethyl)pyrrolidin-1-yl]-(4-fluoro-3-methoxyphenyl)methanone
CID 81284200
[3-(methoxymethyl)pyrrolidin-1-yl]-[4-(propylamino)phenyl]methanone
CID 64583564
(4-fluoro-3-nitrophenyl)-[4-(methoxymethyl)piperidin-1-yl]methanone
CID 63977656
(4-bromo-3-fluorophenyl)-(3-ethylpyrrolidin-1-yl)methanone
CID 112697956

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The IUPAC name of 2-fluoro-5-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide (CID 64723144) is 2-fluoro-5-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide.
What is the SMILES notation for 2-fluoro-5-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The canonical SMILES for 2-fluoro-5-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide is COCC1CCN(C(=O)c2ccc(F)c(S(N)(=O)=O)c2)C1.
What is the InChIKey of 2-fluoro-5-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
The InChIKey is JFPKGPMMPKLZSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4S/c1-20-8-9-4-5-16(7-9)13(17)10-2-3-11(14)12(6-10)21(15,18)19/h2-3,6,9H,4-5,7-8H2,1H3,(H2,15,18,19).
What are the key properties of 2-fluoro-5-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide?
2-fluoro-5-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide has a molecular weight of 316.35 g/mol, XLogP of 0.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[3-(methoxymethyl)pyrrolidine-1-carbonyl]benzenesulfonamide is sourced from PubChem (CID 64723144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).