3-(3,4-dimethylpyrrolidine-1-carbonyl)-5-fluorobenzenesulfonamide

C13H17FN2O3S — CID 79186833

IUPAC3-(3,4-dimethylpyrrolidine-1-carbonyl)-5-fluorobenzenesulfonamide
SMILESCC1CN(C(=O)c2cc(F)cc(S(N)(=O)=O)c2)CC1C
InChIInChI=1S/C13H17FN2O3S/c1-8-6-16(7-9(8)2)13(17)10-3-11(14)5-12(4-10)20(15,18)19/h3-5,8-9H,6-7H2,1-2H3,(H2,15,18,19)
InChIKeyRTSFHIPAZYNJRI-UHFFFAOYSA-N
MW300.36 g/mol
LogP1.20
Rot. Bonds2

About 3-(3,4-dimethylpyrrolidine-1-carbonyl)-5-fluorobenzenesulfonamide

3-(3,4-dimethylpyrrolidine-1-carbonyl)-5-fluorobenzenesulfonamide (PubChem CID 79186833) has the molecular formula C13H17FN2O3S and a molecular weight of 300.36 g/mol. Its IUPAC name is 3-(3,4-dimethylpyrrolidine-1-carbonyl)-5-fluorobenzenesulfonamide.

Molecular Properties

Compound Name3-(3,4-dimethylpyrrolidine-1-carbonyl)-5-fluorobenzenesulfonamide
PubChem CID79186833
Molecular FormulaC13H17FN2O3S
Molecular Weight300.36 g/mol
Exact Mass300.09
IUPAC Name3-(3,4-dimethylpyrrolidine-1-carbonyl)-5-fluorobenzenesulfonamide
SMILESCC1CN(C(=O)c2cc(F)cc(S(N)(=O)=O)c2)CC1C
InChIInChI=1S/C13H17FN2O3S/c1-8-6-16(7-9(8)2)13(17)10-3-11(14)5-12(4-10)20(15,18)19/h3-5,8-9H,6-7H2,1-2H3,(H2,15,18,19)
InChIKeyRTSFHIPAZYNJRI-UHFFFAOYSA-N
XLogP1.20
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 51.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(3,4-dimethylpyrrolidine-1-carbonyl)-5-fluorobenzenesulfonamide?
The IUPAC name of 3-(3,4-dimethylpyrrolidine-1-carbonyl)-5-fluorobenzenesulfonamide (CID 79186833) is 3-(3,4-dimethylpyrrolidine-1-carbonyl)-5-fluorobenzenesulfonamide.
What is the SMILES notation for 3-(3,4-dimethylpyrrolidine-1-carbonyl)-5-fluorobenzenesulfonamide?
The canonical SMILES for 3-(3,4-dimethylpyrrolidine-1-carbonyl)-5-fluorobenzenesulfonamide is CC1CN(C(=O)c2cc(F)cc(S(N)(=O)=O)c2)CC1C.
What is the InChIKey of 3-(3,4-dimethylpyrrolidine-1-carbonyl)-5-fluorobenzenesulfonamide?
The InChIKey is RTSFHIPAZYNJRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O3S/c1-8-6-16(7-9(8)2)13(17)10-3-11(14)5-12(4-10)20(15,18)19/h3-5,8-9H,6-7H2,1-2H3,(H2,15,18,19).
What are the key properties of 3-(3,4-dimethylpyrrolidine-1-carbonyl)-5-fluorobenzenesulfonamide?
3-(3,4-dimethylpyrrolidine-1-carbonyl)-5-fluorobenzenesulfonamide has a molecular weight of 300.36 g/mol, XLogP of 1.20, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,4-dimethylpyrrolidine-1-carbonyl)-5-fluorobenzenesulfonamide is sourced from PubChem (CID 79186833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).