1-(2-fluorophenyl)-N-[(2S)-3-hydroxy-2-methylpropyl]methanesulfonamide

C11H16FNO3S — CID 97087544

IUPAC1-(2-fluorophenyl)-N-[(2S)-3-hydroxy-2-methylpropyl]methanesulfonamide
SMILESC[C@H](CO)CNS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C11H16FNO3S/c1-9(7-14)6-13-17(15,16)8-10-4-2-3-5-11(10)12/h2-5,9,13-14H,6-8H2,1H3/t9-/m0/s1
InChIKeyYXTJCMXIYBIXLR-VIFPVBQESA-N
MW261.32 g/mol
LogP0.87
Rot. Bonds6

About 1-(2-fluorophenyl)-N-[(2S)-3-hydroxy-2-methylpropyl]methanesulfonamide

1-(2-fluorophenyl)-N-[(2S)-3-hydroxy-2-methylpropyl]methanesulfonamide (PubChem CID 97087544) has the molecular formula C11H16FNO3S and a molecular weight of 261.32 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(2S)-3-hydroxy-2-methylpropyl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(2S)-3-hydroxy-2-methylpropyl]methanesulfonamide
PubChem CID97087544
Molecular FormulaC11H16FNO3S
Molecular Weight261.32 g/mol
Exact Mass261.08
IUPAC Name1-(2-fluorophenyl)-N-[(2S)-3-hydroxy-2-methylpropyl]methanesulfonamide
SMILESC[C@H](CO)CNS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C11H16FNO3S/c1-9(7-14)6-13-17(15,16)8-10-4-2-3-5-11(10)12/h2-5,9,13-14H,6-8H2,1H3/t9-/m0/s1
InChIKeyYXTJCMXIYBIXLR-VIFPVBQESA-N
XLogP0.87
TPSA66.40 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 50.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-(2-fluorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide
CID 120824821
1-(2-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
CID 100567034
2-[(2-fluorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide
CID 21148291
3-fluoro-N-(3-hydroxy-2-methylpropyl)pyridine-2-sulfonamide
CID 103300164
N-[2-(1,3-benzoxazol-2-yl)propyl]-1-(2-fluorophenyl)methanesulfonamide
CID 71982150
1-(4-aminophenyl)-N-(3-hydroxy-2-methylpropyl)methanesulfonamide
CID 65037107
1-(2-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 93487236
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 95309064
1-(2-fluorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 93487203
3-[1-(2,6-difluorophenyl)ethylamino]-2-methylpropan-1-ol
CID 65034042
N-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 127508935
N-[2-[4-(dimethylamino)phenyl]ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 16890483

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(2S)-3-hydroxy-2-methylpropyl]methanesulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[(2S)-3-hydroxy-2-methylpropyl]methanesulfonamide (CID 97087544) is 1-(2-fluorophenyl)-N-[(2S)-3-hydroxy-2-methylpropyl]methanesulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(2S)-3-hydroxy-2-methylpropyl]methanesulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(2S)-3-hydroxy-2-methylpropyl]methanesulfonamide is C[C@H](CO)CNS(=O)(=O)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(2S)-3-hydroxy-2-methylpropyl]methanesulfonamide?
The InChIKey is YXTJCMXIYBIXLR-VIFPVBQESA-N. The full InChI is InChI=1S/C11H16FNO3S/c1-9(7-14)6-13-17(15,16)8-10-4-2-3-5-11(10)12/h2-5,9,13-14H,6-8H2,1H3/t9-/m0/s1.
What are the key properties of 1-(2-fluorophenyl)-N-[(2S)-3-hydroxy-2-methylpropyl]methanesulfonamide?
1-(2-fluorophenyl)-N-[(2S)-3-hydroxy-2-methylpropyl]methanesulfonamide has a molecular weight of 261.32 g/mol, XLogP of 0.87, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)-N-[(2S)-3-hydroxy-2-methylpropyl]methanesulfonamide is sourced from PubChem (CID 97087544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).