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

C16H18FN3O2S — CID 2464449

IUPACN-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCc2ccc(F)cc2)nc1)N1CCCC1
InChIInChI=1S/C16H18FN3O2S/c17-14-5-3-13(4-6-14)11-18-16-8-7-15(12-19-16)23(21,22)20-9-1-2-10-20/h3-8,12H,1-2,9-11H2,(H,18,19)
InChIKeySEXFOLJQXDYHIX-UHFFFAOYSA-N
MW335.40 g/mol
LogP2.62
Rot. Bonds5

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

N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (PubChem CID 2464449) has the molecular formula C16H18FN3O2S and a molecular weight of 335.40 g/mol. Its IUPAC name is N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.

Molecular Properties

Compound NameN-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
PubChem CID2464449
Molecular FormulaC16H18FN3O2S
Molecular Weight335.40 g/mol
Exact Mass335.11
IUPAC NameN-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine
SMILESO=S(=O)(c1ccc(NCc2ccc(F)cc2)nc1)N1CCCC1
InChIInChI=1S/C16H18FN3O2S/c17-14-5-3-13(4-6-14)11-18-16-8-7-15(12-19-16)23(21,22)20-9-1-2-10-20/h3-8,12H,1-2,9-11H2,(H,18,19)
InChIKeySEXFOLJQXDYHIX-UHFFFAOYSA-N
XLogP2.62
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.40
LogP ≤ 52.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The IUPAC name of N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine (CID 2464449) is N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine.
What is the SMILES notation for N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The canonical SMILES for N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is O=S(=O)(c1ccc(NCc2ccc(F)cc2)nc1)N1CCCC1.
What is the InChIKey of N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
The InChIKey is SEXFOLJQXDYHIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN3O2S/c17-14-5-3-13(4-6-14)11-18-16-8-7-15(12-19-16)23(21,22)20-9-1-2-10-20/h3-8,12H,1-2,9-11H2,(H,18,19).
What are the key properties of N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine?
N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine has a molecular weight of 335.40 g/mol, XLogP of 2.62, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-fluorophenyl)methyl]-5-pyrrolidin-1-ylsulfonylpyridin-2-amine is sourced from PubChem (CID 2464449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).