1-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]methanesulfonamide

C13H20FNO3S — CID 97239225

IUPAC1-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]methanesulfonamide
SMILESCC(C)C[C@@H](CO)NS(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C13H20FNO3S/c1-10(2)6-13(8-16)15-19(17,18)9-11-4-3-5-12(14)7-11/h3-5,7,10,13,15-16H,6,8-9H2,1-2H3/t13-/m0/s1
InChIKeySJBXZJYRMNXDDC-ZDUSSCGKSA-N
MW289.37 g/mol
LogP1.65
Rot. Bonds7

About 1-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]methanesulfonamide

1-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]methanesulfonamide (PubChem CID 97239225) has the molecular formula C13H20FNO3S and a molecular weight of 289.37 g/mol. Its IUPAC name is 1-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]methanesulfonamide
PubChem CID97239225
Molecular FormulaC13H20FNO3S
Molecular Weight289.37 g/mol
Exact Mass289.11
IUPAC Name1-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]methanesulfonamide
SMILESCC(C)C[C@@H](CO)NS(=O)(=O)Cc1cccc(F)c1
InChIInChI=1S/C13H20FNO3S/c1-10(2)6-13(8-16)15-19(17,18)9-11-4-3-5-12(14)7-11/h3-5,7,10,13,15-16H,6,8-9H2,1-2H3/t13-/m0/s1
InChIKeySJBXZJYRMNXDDC-ZDUSSCGKSA-N
XLogP1.65
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.37
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]methanesulfonamide?
The IUPAC name of 1-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]methanesulfonamide (CID 97239225) is 1-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]methanesulfonamide.
What is the SMILES notation for 1-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]methanesulfonamide?
The canonical SMILES for 1-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]methanesulfonamide is CC(C)C[C@@H](CO)NS(=O)(=O)Cc1cccc(F)c1.
What is the InChIKey of 1-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]methanesulfonamide?
The InChIKey is SJBXZJYRMNXDDC-ZDUSSCGKSA-N. The full InChI is InChI=1S/C13H20FNO3S/c1-10(2)6-13(8-16)15-19(17,18)9-11-4-3-5-12(14)7-11/h3-5,7,10,13,15-16H,6,8-9H2,1-2H3/t13-/m0/s1.
What are the key properties of 1-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]methanesulfonamide?
1-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]methanesulfonamide has a molecular weight of 289.37 g/mol, XLogP of 1.65, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-fluorophenyl)-N-[(2S)-1-hydroxy-4-methylpentan-2-yl]methanesulfonamide is sourced from PubChem (CID 97239225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).