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

C12H18FNO2S — CID 32674270

IUPAC1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
SMILESCC(C)[C@H](C)NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H18FNO2S/c1-9(2)10(3)14-17(15,16)8-11-4-6-12(13)7-5-11/h4-7,9-10,14H,8H2,1-3H3/t10-/m0/s1
InChIKeyYBKFMFWLEBMWCQ-JTQLQIEISA-N
MW259.35 g/mol
LogP2.29
Rot. Bonds5

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

1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide (PubChem CID 32674270) has the molecular formula C12H18FNO2S and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
PubChem CID32674270
Molecular FormulaC12H18FNO2S
Molecular Weight259.35 g/mol
Exact Mass259.10
IUPAC Name1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
SMILESCC(C)[C@H](C)NS(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H18FNO2S/c1-9(2)10(3)14-17(15,16)8-11-4-6-12(13)7-5-11/h4-7,9-10,14H,8H2,1-3H3/t10-/m0/s1
InChIKeyYBKFMFWLEBMWCQ-JTQLQIEISA-N
XLogP2.29
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(4-fluorophenyl)methylsulfonylamino]propanoic acid
CID 43361295
methyl 2-[(4-fluorophenyl)methylsulfonylamino]-3-methylbutanoate
CID 43410348
methyl 2-[(4-fluorophenyl)methylsulfonylamino]propanoate
CID 60715311
N-[(1S)-1-(4-ethylphenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 94616414
1-[4-[(cyclopropylamino)methyl]phenyl]-N-(3-methylbutan-2-yl)methanesulfonamide
CID 106029974
N-[(1S)-1-(2,4-difluorophenyl)ethyl]-1-(4-fluorophenyl)methanesulfonamide
CID 32676505
1-(4-chlorophenyl)-N-[1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 43908400
1-(4-fluorophenyl)-N-(2-hydroxypropyl)methanesulfonamide
CID 43502310
N-(1-aminobutan-2-yl)-1-(4-fluorophenyl)methanesulfonamide
CID 65194114
1-(2-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
CID 100567034
5-[(4-fluorophenyl)methylsulfonylamino]hexanoic acid
CID 82854872
1-(4-fluorophenyl)-N-[(1S)-1-pyridin-3-ylethyl]methanesulfonamide
CID 32677965

Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide (CID 32674270) is 1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide is CC(C)[C@H](C)NS(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide?
The InChIKey is YBKFMFWLEBMWCQ-JTQLQIEISA-N. The full InChI is InChI=1S/C12H18FNO2S/c1-9(2)10(3)14-17(15,16)8-11-4-6-12(13)7-5-11/h4-7,9-10,14H,8H2,1-3H3/t10-/m0/s1.
What are the key properties of 1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide?
1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide has a molecular weight of 259.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide is sourced from PubChem (CID 32674270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).