N-(4-fluorophenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

C15H16FN3O2S — CID 5268211

IUPACN-(4-fluorophenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(Nc2ccc(F)cc2)nc1)N1CCCC1
InChIInChI=1S/C15H16FN3O2S/c16-12-3-5-13(6-4-12)18-15-8-7-14(11-17-15)22(20,21)19-9-1-2-10-19/h3-8,11H,1-2,9-10H2,(H,17,18)
InChIKeyPWJQSSCRMGDJJZ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.75
Rot. Bonds4

About N-(4-fluorophenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine

N-(4-fluorophenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 5268211) has the molecular formula C15H16FN3O2S and a molecular weight of 321.38 g/mol. Its IUPAC name is N-(4-fluorophenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-(4-fluorophenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID5268211
Molecular FormulaC15H16FN3O2S
Molecular Weight321.38 g/mol
Exact Mass321.09
IUPAC NameN-(4-fluorophenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(Nc2ccc(F)cc2)nc1)N1CCCC1
InChIInChI=1S/C15H16FN3O2S/c16-12-3-5-13(6-4-12)18-15-8-7-14(11-17-15)22(20,21)19-9-1-2-10-19/h3-8,11H,1-2,9-10H2,(H,17,18)
InChIKeyPWJQSSCRMGDJJZ-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-(4-fluorophenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-(4-fluorophenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 5268211) is N-(4-fluorophenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-(4-fluorophenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-(4-fluorophenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is O=S(=O)(c1ccc(Nc2ccc(F)cc2)nc1)N1CCCC1.
What is the InChIKey of N-(4-fluorophenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is PWJQSSCRMGDJJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16FN3O2S/c16-12-3-5-13(6-4-12)18-15-8-7-14(11-17-15)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-(4-fluorophenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
N-(4-fluorophenyl)-5-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-(4-fluorophenyl)-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 5268211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).