N-(2-tert-butyl-5-fluorophenyl)-N-methylmethanesulfonamide

C12H18FNO2S — CID 171399333

IUPACN-(2-tert-butyl-5-fluorophenyl)-N-methylmethanesulfonamide
SMILESCN(c1cc(F)ccc1C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C12H18FNO2S/c1-12(2,3)10-7-6-9(13)8-11(10)14(4)17(5,15)16/h6-8H,1-5H3
InChIKeyOVDXNQAJMWTOQM-UHFFFAOYSA-N
MW259.35 g/mol
LogP2.52
Rot. Bonds2

About N-(2-tert-butyl-5-fluorophenyl)-N-methylmethanesulfonamide

N-(2-tert-butyl-5-fluorophenyl)-N-methylmethanesulfonamide (PubChem CID 171399333) has the molecular formula C12H18FNO2S and a molecular weight of 259.35 g/mol. Its IUPAC name is N-(2-tert-butyl-5-fluorophenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-tert-butyl-5-fluorophenyl)-N-methylmethanesulfonamide
PubChem CID171399333
Molecular FormulaC12H18FNO2S
Molecular Weight259.35 g/mol
Exact Mass259.10
IUPAC NameN-(2-tert-butyl-5-fluorophenyl)-N-methylmethanesulfonamide
SMILESCN(c1cc(F)ccc1C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C12H18FNO2S/c1-12(2,3)10-7-6-9(13)8-11(10)14(4)17(5,15)16/h6-8H,1-5H3
InChIKeyOVDXNQAJMWTOQM-UHFFFAOYSA-N
XLogP2.52
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.35
LogP ≤ 52.52
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-5-fluorophenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(2-tert-butyl-5-fluorophenyl)-N-methylmethanesulfonamide (CID 171399333) is N-(2-tert-butyl-5-fluorophenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-tert-butyl-5-fluorophenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-tert-butyl-5-fluorophenyl)-N-methylmethanesulfonamide is CN(c1cc(F)ccc1C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-(2-tert-butyl-5-fluorophenyl)-N-methylmethanesulfonamide?
The InChIKey is OVDXNQAJMWTOQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18FNO2S/c1-12(2,3)10-7-6-9(13)8-11(10)14(4)17(5,15)16/h6-8H,1-5H3.
What are the key properties of N-(2-tert-butyl-5-fluorophenyl)-N-methylmethanesulfonamide?
N-(2-tert-butyl-5-fluorophenyl)-N-methylmethanesulfonamide has a molecular weight of 259.35 g/mol, XLogP of 2.52, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-tert-butyl-5-fluorophenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 171399333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).