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

C16H22FN3O5S — CID 118353370

IUPACN-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanediamide
SMILESNC(=O)CC(O)C(=O)NC(C1CCNCC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C16H22FN3O5S/c17-11-2-1-3-12(8-11)26(24,25)16(10-4-6-19-7-5-10)20-15(23)13(21)9-14(18)22/h1-3,8,10,13,16,19,21H,4-7,9H2,(H2,18,22)(H,20,23)
InChIKeyOFQMZUDBAYIANF-UHFFFAOYSA-N
MW387.43 g/mol
LogP-0.72
Rot. Bonds7

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

N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanediamide (PubChem CID 118353370) has the molecular formula C16H22FN3O5S and a molecular weight of 387.43 g/mol. Its IUPAC name is N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanediamide.

Molecular Properties

Compound NameN-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanediamide
PubChem CID118353370
Molecular FormulaC16H22FN3O5S
Molecular Weight387.43 g/mol
Exact Mass387.13
IUPAC NameN-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanediamide
SMILESNC(=O)CC(O)C(=O)NC(C1CCNCC1)S(=O)(=O)c1cccc(F)c1
InChIInChI=1S/C16H22FN3O5S/c17-11-2-1-3-12(8-11)26(24,25)16(10-4-6-19-7-5-10)20-15(23)13(21)9-14(18)22/h1-3,8,10,13,16,19,21H,4-7,9H2,(H2,18,22)(H,20,23)
InChIKeyOFQMZUDBAYIANF-UHFFFAOYSA-N
XLogP-0.72
TPSA138.59 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.43
LogP ≤ 5-0.72
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanediamide?
The IUPAC name of N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanediamide (CID 118353370) is N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanediamide.
What is the SMILES notation for N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanediamide?
The canonical SMILES for N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanediamide is NC(=O)CC(O)C(=O)NC(C1CCNCC1)S(=O)(=O)c1cccc(F)c1.
What is the InChIKey of N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanediamide?
The InChIKey is OFQMZUDBAYIANF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22FN3O5S/c17-11-2-1-3-12(8-11)26(24,25)16(10-4-6-19-7-5-10)20-15(23)13(21)9-14(18)22/h1-3,8,10,13,16,19,21H,4-7,9H2,(H2,18,22)(H,20,23).
What are the key properties of N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanediamide?
N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanediamide has a molecular weight of 387.43 g/mol, XLogP of -0.72, 7 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-fluorophenyl)sulfonyl-piperidin-4-ylmethyl]-2-hydroxybutanediamide is sourced from PubChem (CID 118353370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).