4-amino-N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanamide

C16H24FN3O4S — CID 118353372

IUPAC4-amino-N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanamide
SMILESNCCC(O)C(=O)NC(C1CCNCC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C16H24FN3O4S/c17-12-2-1-3-13(10-12)25(23,24)16(11-5-8-19-9-6-11)20-15(22)14(21)4-7-18/h1-3,10-11,14,16,19,21H,4-9,18H2,(H,20,22)
InChIKeyVGJORTZGSOJKRY-UHFFFAOYSA-N
MW373.45 g/mol
LogP-0.25
Rot. Bonds7

About 4-amino-N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanamide

4-amino-N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanamide (PubChem CID 118353372) has the molecular formula C16H24FN3O4S and a molecular weight of 373.45 g/mol. Its IUPAC name is 4-amino-N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanamide.

Molecular Properties

Compound Name4-amino-N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanamide
PubChem CID118353372
Molecular FormulaC16H24FN3O4S
Molecular Weight373.45 g/mol
Exact Mass373.15
IUPAC Name4-amino-N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanamide
SMILESNCCC(O)C(=O)NC(C1CCNCC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C16H24FN3O4S/c17-12-2-1-3-13(10-12)25(23,24)16(11-5-8-19-9-6-11)20-15(22)14(21)4-7-18/h1-3,10-11,14,16,19,21H,4-9,18H2,(H,20,22)
InChIKeyVGJORTZGSOJKRY-UHFFFAOYSA-N
XLogP-0.25
TPSA121.52 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.45
LogP ≤ 5-0.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanamide?
The IUPAC name of 4-amino-N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanamide (CID 118353372) is 4-amino-N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanamide.
What is the SMILES notation for 4-amino-N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanamide?
The canonical SMILES for 4-amino-N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanamide is NCCC(O)C(=O)NC(C1CCNCC1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of 4-amino-N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanamide?
The InChIKey is VGJORTZGSOJKRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24FN3O4S/c17-12-2-1-3-13(10-12)25(23,24)16(11-5-8-19-9-6-11)20-15(22)14(21)4-7-18/h1-3,10-11,14,16,19,21H,4-9,18H2,(H,20,22).
What are the key properties of 4-amino-N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanamide?
4-amino-N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanamide has a molecular weight of 373.45 g/mol, XLogP of -0.25, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanamide is sourced from PubChem (CID 118353372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).