3-(4-fluorophenyl)-2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]propanamide

C17H18FNO4S — CID 135029447

IUPAC3-(4-fluorophenyl)-2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]propanamide
SMILESCc1ccc(S(=O)(=O)CNC(=O)C(O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO4S/c1-12-2-8-15(9-3-12)24(22,23)11-19-17(21)16(20)10-13-4-6-14(18)7-5-13/h2-9,16,20H,10-11H2,1H3,(H,19,21)
InChIKeyAUHJYFJKJLJLMS-UHFFFAOYSA-N
MW351.40 g/mol
LogP1.59
Rot. Bonds6

About 3-(4-fluorophenyl)-2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]propanamide

3-(4-fluorophenyl)-2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]propanamide (PubChem CID 135029447) has the molecular formula C17H18FNO4S and a molecular weight of 351.40 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)-2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]propanamide
PubChem CID135029447
Molecular FormulaC17H18FNO4S
Molecular Weight351.40 g/mol
Exact Mass351.09
IUPAC Name3-(4-fluorophenyl)-2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]propanamide
SMILESCc1ccc(S(=O)(=O)CNC(=O)C(O)Cc2ccc(F)cc2)cc1
InChIInChI=1S/C17H18FNO4S/c1-12-2-8-15(9-3-12)24(22,23)11-19-17(21)16(20)10-13-4-6-14(18)7-5-13/h2-9,16,20H,10-11H2,1H3,(H,19,21)
InChIKeyAUHJYFJKJLJLMS-UHFFFAOYSA-N
XLogP1.59
TPSA83.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.40
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]propanamide?
The IUPAC name of 3-(4-fluorophenyl)-2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]propanamide (CID 135029447) is 3-(4-fluorophenyl)-2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)-2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]propanamide?
The canonical SMILES for 3-(4-fluorophenyl)-2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]propanamide is Cc1ccc(S(=O)(=O)CNC(=O)C(O)Cc2ccc(F)cc2)cc1.
What is the InChIKey of 3-(4-fluorophenyl)-2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]propanamide?
The InChIKey is AUHJYFJKJLJLMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FNO4S/c1-12-2-8-15(9-3-12)24(22,23)11-19-17(21)16(20)10-13-4-6-14(18)7-5-13/h2-9,16,20H,10-11H2,1H3,(H,19,21).
What are the key properties of 3-(4-fluorophenyl)-2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]propanamide?
3-(4-fluorophenyl)-2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]propanamide has a molecular weight of 351.40 g/mol, XLogP of 1.59, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-2-hydroxy-N-[(4-methylphenyl)sulfonylmethyl]propanamide is sourced from PubChem (CID 135029447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).