N-(2-tert-butyl-4-fluoro-5-propan-2-ylphenyl)-N-methylmethanesulfonamide

C15H24FNO2S — CID 171399412

IUPACN-(2-tert-butyl-4-fluoro-5-propan-2-ylphenyl)-N-methylmethanesulfonamide
SMILESCC(C)c1cc(N(C)S(C)(=O)=O)c(C(C)(C)C)cc1F
InChIInChI=1S/C15H24FNO2S/c1-10(2)11-8-14(17(6)20(7,18)19)12(9-13(11)16)15(3,4)5/h8-10H,1-7H3
InChIKeyGWLMVFGHWULZTF-UHFFFAOYSA-N
MW301.43 g/mol
LogP3.64
Rot. Bonds3

About N-(2-tert-butyl-4-fluoro-5-propan-2-ylphenyl)-N-methylmethanesulfonamide

N-(2-tert-butyl-4-fluoro-5-propan-2-ylphenyl)-N-methylmethanesulfonamide (PubChem CID 171399412) has the molecular formula C15H24FNO2S and a molecular weight of 301.43 g/mol. Its IUPAC name is N-(2-tert-butyl-4-fluoro-5-propan-2-ylphenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-tert-butyl-4-fluoro-5-propan-2-ylphenyl)-N-methylmethanesulfonamide
PubChem CID171399412
Molecular FormulaC15H24FNO2S
Molecular Weight301.43 g/mol
Exact Mass301.15
IUPAC NameN-(2-tert-butyl-4-fluoro-5-propan-2-ylphenyl)-N-methylmethanesulfonamide
SMILESCC(C)c1cc(N(C)S(C)(=O)=O)c(C(C)(C)C)cc1F
InChIInChI=1S/C15H24FNO2S/c1-10(2)11-8-14(17(6)20(7,18)19)12(9-13(11)16)15(3,4)5/h8-10H,1-7H3
InChIKeyGWLMVFGHWULZTF-UHFFFAOYSA-N
XLogP3.64
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.43
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of N-(2-tert-butyl-4-fluoro-5-propan-2-ylphenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(2-tert-butyl-4-fluoro-5-propan-2-ylphenyl)-N-methylmethanesulfonamide (CID 171399412) is N-(2-tert-butyl-4-fluoro-5-propan-2-ylphenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-tert-butyl-4-fluoro-5-propan-2-ylphenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-tert-butyl-4-fluoro-5-propan-2-ylphenyl)-N-methylmethanesulfonamide is CC(C)c1cc(N(C)S(C)(=O)=O)c(C(C)(C)C)cc1F.
What is the InChIKey of N-(2-tert-butyl-4-fluoro-5-propan-2-ylphenyl)-N-methylmethanesulfonamide?
The InChIKey is GWLMVFGHWULZTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24FNO2S/c1-10(2)11-8-14(17(6)20(7,18)19)12(9-13(11)16)15(3,4)5/h8-10H,1-7H3.
What are the key properties of N-(2-tert-butyl-4-fluoro-5-propan-2-ylphenyl)-N-methylmethanesulfonamide?
N-(2-tert-butyl-4-fluoro-5-propan-2-ylphenyl)-N-methylmethanesulfonamide has a molecular weight of 301.43 g/mol, XLogP of 3.64, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-4-fluoro-5-propan-2-ylphenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 171399412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).