N-(5-fluoro-2-propan-2-ylphenyl)-N-methylmethanesulfonamide

C11H16FNO2S — CID 58029490

IUPACN-(5-fluoro-2-propan-2-ylphenyl)-N-methylmethanesulfonamide
SMILESCC(C)c1ccc(F)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C11H16FNO2S/c1-8(2)10-6-5-9(12)7-11(10)13(3)16(4,14)15/h5-8H,1-4H3
InChIKeyGFDWYUWPLXIKRF-UHFFFAOYSA-N
MW245.32 g/mol
LogP2.34
Rot. Bonds3

About N-(5-fluoro-2-propan-2-ylphenyl)-N-methylmethanesulfonamide

N-(5-fluoro-2-propan-2-ylphenyl)-N-methylmethanesulfonamide (PubChem CID 58029490) has the molecular formula C11H16FNO2S and a molecular weight of 245.32 g/mol. Its IUPAC name is N-(5-fluoro-2-propan-2-ylphenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(5-fluoro-2-propan-2-ylphenyl)-N-methylmethanesulfonamide
PubChem CID58029490
Molecular FormulaC11H16FNO2S
Molecular Weight245.32 g/mol
Exact Mass245.09
IUPAC NameN-(5-fluoro-2-propan-2-ylphenyl)-N-methylmethanesulfonamide
SMILESCC(C)c1ccc(F)cc1N(C)S(C)(=O)=O
InChIInChI=1S/C11H16FNO2S/c1-8(2)10-6-5-9(12)7-11(10)13(3)16(4,14)15/h5-8H,1-4H3
InChIKeyGFDWYUWPLXIKRF-UHFFFAOYSA-N
XLogP2.34
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500245.32
LogP ≤ 52.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze N-(5-fluoro-2-propan-2-ylphenyl)-N-methylmethanesulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-(5-fluoro-2-propan-2-ylphenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(5-fluoro-2-propan-2-ylphenyl)-N-methylmethanesulfonamide (CID 58029490) is N-(5-fluoro-2-propan-2-ylphenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(5-fluoro-2-propan-2-ylphenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(5-fluoro-2-propan-2-ylphenyl)-N-methylmethanesulfonamide is CC(C)c1ccc(F)cc1N(C)S(C)(=O)=O.
What is the InChIKey of N-(5-fluoro-2-propan-2-ylphenyl)-N-methylmethanesulfonamide?
The InChIKey is GFDWYUWPLXIKRF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16FNO2S/c1-8(2)10-6-5-9(12)7-11(10)13(3)16(4,14)15/h5-8H,1-4H3.
What are the key properties of N-(5-fluoro-2-propan-2-ylphenyl)-N-methylmethanesulfonamide?
N-(5-fluoro-2-propan-2-ylphenyl)-N-methylmethanesulfonamide has a molecular weight of 245.32 g/mol, XLogP of 2.34, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-fluoro-2-propan-2-ylphenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 58029490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).