N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylpyridin-2-amine

C15H16FN3O2S — CID 53151362

IUPACN-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1cccnc1Nc1cccc(F)c1)N1CCCC1
InChIInChI=1S/C15H16FN3O2S/c16-12-5-3-6-13(11-12)18-15-14(7-4-8-17-15)22(20,21)19-9-1-2-10-19/h3-8,11H,1-2,9-10H2,(H,17,18)
InChIKeyHILHCSUUBMAYEM-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.75
Rot. Bonds4

About N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylpyridin-2-amine

N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 53151362) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID53151362
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC NameN-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1cccnc1Nc1cccc(F)c1)N1CCCC1
InChIInChI=1S/C15H16FN3O2S/c16-12-5-3-6-13(11-12)18-15-14(7-4-8-17-15)22(20,21)19-9-1-2-10-19/h3-8,11H,1-2,9-10H2,(H,17,18)
InChIKeyHILHCSUUBMAYEM-UHFFFAOYSA-N
XLogP2.75
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 ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 53151362) is N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylpyridin-2-amine is O=S(=O)(c1cccnc1Nc1cccc(F)c1)N1CCCC1.
What is the InChIKey of N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is HILHCSUUBMAYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c16-12-5-3-6-13(11-12)18-15-14(7-4-8-17-15)22(20,21)19-9-1-2-10-19/h3-8,11H,1-2,9-10H2,(H,17,18).
What are the key properties of N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylpyridin-2-amine?
N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 321.38 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-fluorophenyl)-3-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 53151362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).