1-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylmethanesulfonamide

C12H18FNO3S — CID 113351320

IUPAC1-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylmethanesulfonamide
SMILESCN(C(C)(C)CO)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H18FNO3S/c1-12(2,9-15)14(3)18(16,17)8-10-4-6-11(13)7-5-10/h4-7,15H,8-9H2,1-3H3
InChIKeyISBUBIVBAKGLTR-UHFFFAOYSA-N
MW275.34 g/mol
LogP1.36
Rot. Bonds5

About 1-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylmethanesulfonamide

1-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylmethanesulfonamide (PubChem CID 113351320) has the molecular formula C12H18FNO3S and a molecular weight of 275.34 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylmethanesulfonamide.

Molecular Properties

Compound Name1-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylmethanesulfonamide
PubChem CID113351320
Molecular FormulaC12H18FNO3S
Molecular Weight275.34 g/mol
Exact Mass275.10
IUPAC Name1-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylmethanesulfonamide
SMILESCN(C(C)(C)CO)S(=O)(=O)Cc1ccc(F)cc1
InChIInChI=1S/C12H18FNO3S/c1-12(2,9-15)14(3)18(16,17)8-10-4-6-11(13)7-5-10/h4-7,15H,8-9H2,1-3H3
InChIKeyISBUBIVBAKGLTR-UHFFFAOYSA-N
XLogP1.36
TPSA57.61 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500275.34
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylmethanesulfonamide?
The IUPAC name of 1-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylmethanesulfonamide (CID 113351320) is 1-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylmethanesulfonamide.
What is the SMILES notation for 1-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylmethanesulfonamide?
The canonical SMILES for 1-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylmethanesulfonamide is CN(C(C)(C)CO)S(=O)(=O)Cc1ccc(F)cc1.
What is the InChIKey of 1-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylmethanesulfonamide?
The InChIKey is ISBUBIVBAKGLTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO3S/c1-12(2,9-15)14(3)18(16,17)8-10-4-6-11(13)7-5-10/h4-7,15H,8-9H2,1-3H3.
What are the key properties of 1-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylmethanesulfonamide?
1-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylmethanesulfonamide has a molecular weight of 275.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-N-(1-hydroxy-2-methylpropan-2-yl)-N-methylmethanesulfonamide is sourced from PubChem (CID 113351320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).