N-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridin-3-amine

C15H16FN3O2S — CID 53185429

IUPACN-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridin-3-amine
SMILESO=S(=O)(c1cccc(F)c1)N1CCC(Nc2cccnc2)C1
InChIInChI=1S/C15H16FN3O2S/c16-12-3-1-5-15(9-12)22(20,21)19-8-6-14(11-19)18-13-4-2-7-17-10-13/h1-5,7,9-10,14,18H,6,8,11H2
InChIKeyMVLJTGGLIKZFKD-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.10
Rot. Bonds4

About N-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridin-3-amine

N-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridin-3-amine (PubChem CID 53185429) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is N-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridin-3-amine.

Molecular Properties

Compound NameN-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridin-3-amine
PubChem CID53185429
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC NameN-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridin-3-amine
SMILESO=S(=O)(c1cccc(F)c1)N1CCC(Nc2cccnc2)C1
InChIInChI=1S/C15H16FN3O2S/c16-12-3-1-5-15(9-12)22(20,21)19-8-6-14(11-19)18-13-4-2-7-17-10-13/h1-5,7,9-10,14,18H,6,8,11H2
InChIKeyMVLJTGGLIKZFKD-UHFFFAOYSA-N
XLogP2.10
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridin-3-amine?
The IUPAC name of N-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridin-3-amine (CID 53185429) is N-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridin-3-amine.
What is the SMILES notation for N-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridin-3-amine?
The canonical SMILES for N-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridin-3-amine is O=S(=O)(c1cccc(F)c1)N1CCC(Nc2cccnc2)C1.
What is the InChIKey of N-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridin-3-amine?
The InChIKey is MVLJTGGLIKZFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c16-12-3-1-5-15(9-12)22(20,21)19-8-6-14(11-19)18-13-4-2-7-17-10-13/h1-5,7,9-10,14,18H,6,8,11H2.
What are the key properties of N-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridin-3-amine?
N-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridin-3-amine has a molecular weight of 321.38 g/mol, XLogP of 2.10, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]pyridin-3-amine is sourced from PubChem (CID 53185429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).