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

C12H18FNO2S — CID 100567034

IUPAC1-(2-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
SMILESCC(C)[C@@H](C)NS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C12H18FNO2S/c1-9(2)10(3)14-17(15,16)8-11-6-4-5-7-12(11)13/h4-7,9-10,14H,8H2,1-3H3/t10-/m1/s1
InChIKeyCRRBHQPCIKEIEH-SNVBAGLBSA-N
MW259.35 g/mol
LogP2.29
Rot. Bonds5

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

1-(2-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide (PubChem CID 100567034) has the molecular formula C12H18FNO2S and a molecular weight of 259.35 g/mol. Its IUPAC name is 1-(2-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide.

Molecular Properties

Compound Name1-(2-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
PubChem CID100567034
Molecular FormulaC12H18FNO2S
Molecular Weight259.35 g/mol
Exact Mass259.10
IUPAC Name1-(2-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide
SMILESCC(C)[C@@H](C)NS(=O)(=O)Cc1ccccc1F
InChIInChI=1S/C12H18FNO2S/c1-9(2)10(3)14-17(15,16)8-11-6-4-5-7-12(11)13/h4-7,9-10,14H,8H2,1-3H3/t10-/m1/s1
InChIKeyCRRBHQPCIKEIEH-SNVBAGLBSA-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

1-(2-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 93487236
1-(2-fluorophenyl)-N-[(1R)-1-(4-methylphenyl)ethyl]methanesulfonamide
CID 93487203
N-[1-(4-ethylphenyl)ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 127508935
1-(2-fluorophenyl)-N-[2-(methylamino)propyl]methanesulfonamide
CID 120824821
1-(2-fluorophenyl)-N-[(2S)-3-hydroxy-2-methylpropyl]methanesulfonamide
CID 97087544
1-(4-fluorophenyl)-N-[(2S)-3-methylbutan-2-yl]methanesulfonamide
CID 32674270
1-(2-fluorophenyl)-N-[(S)-(2-methylphenyl)-phenylmethyl]methanesulfonamide
CID 92683979
1-(2-fluorophenyl)-N-[(1R)-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethyl]methanesulfonamide
CID 52857415
N-[2-[[(2S)-butan-2-yl]-methylamino]ethyl]-1-(2-fluorophenyl)methanesulfonamide
CID 95309064
2-[(2-fluorophenyl)methylsulfonylamino]-N-(1-phenylethyl)acetamide
CID 21148291
2-(2-fluorophenyl)-N-(3-methylbutan-2-yl)acetamide
CID 78799919
2,6-difluoro-N-[[2-(propan-2-ylsulfamoylmethyl)phenyl]methyl]benzamide
CID 51279145

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide?
The IUPAC name of 1-(2-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide (CID 100567034) is 1-(2-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide.
What is the SMILES notation for 1-(2-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide?
The canonical SMILES for 1-(2-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide is CC(C)[C@@H](C)NS(=O)(=O)Cc1ccccc1F.
What is the InChIKey of 1-(2-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide?
The InChIKey is CRRBHQPCIKEIEH-SNVBAGLBSA-N. The full InChI is InChI=1S/C12H18FNO2S/c1-9(2)10(3)14-17(15,16)8-11-6-4-5-7-12(11)13/h4-7,9-10,14H,8H2,1-3H3/t10-/m1/s1.
What are the key properties of 1-(2-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide?
1-(2-fluorophenyl)-N-[(2R)-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-(2-fluorophenyl)-N-[(2R)-3-methylbutan-2-yl]methanesulfonamide is sourced from PubChem (CID 100567034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).