N-(2-tert-butyl-4-fluoro-5-methylphenyl)-N-methylmethanesulfonamide

C13H20FNO2S — CID 171399408

IUPACN-(2-tert-butyl-4-fluoro-5-methylphenyl)-N-methylmethanesulfonamide
SMILESCc1cc(N(C)S(C)(=O)=O)c(C(C)(C)C)cc1F
InChIInChI=1S/C13H20FNO2S/c1-9-7-12(15(5)18(6,16)17)10(8-11(9)14)13(2,3)4/h7-8H,1-6H3
InChIKeyCKMWTAMHPQNLKE-UHFFFAOYSA-N
MW273.37 g/mol
LogP2.83
Rot. Bonds2

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

N-(2-tert-butyl-4-fluoro-5-methylphenyl)-N-methylmethanesulfonamide (PubChem CID 171399408) has the molecular formula C13H20FNO2S and a molecular weight of 273.37 g/mol. Its IUPAC name is N-(2-tert-butyl-4-fluoro-5-methylphenyl)-N-methylmethanesulfonamide.

Molecular Properties

Compound NameN-(2-tert-butyl-4-fluoro-5-methylphenyl)-N-methylmethanesulfonamide
PubChem CID171399408
Molecular FormulaC13H20FNO2S
Molecular Weight273.37 g/mol
Exact Mass273.12
IUPAC NameN-(2-tert-butyl-4-fluoro-5-methylphenyl)-N-methylmethanesulfonamide
SMILESCc1cc(N(C)S(C)(=O)=O)c(C(C)(C)C)cc1F
InChIInChI=1S/C13H20FNO2S/c1-9-7-12(15(5)18(6,16)17)10(8-11(9)14)13(2,3)4/h7-8H,1-6H3
InChIKeyCKMWTAMHPQNLKE-UHFFFAOYSA-N
XLogP2.83
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.37
LogP ≤ 52.83
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-methylphenyl)-N-methylmethanesulfonamide?
The IUPAC name of N-(2-tert-butyl-4-fluoro-5-methylphenyl)-N-methylmethanesulfonamide (CID 171399408) is N-(2-tert-butyl-4-fluoro-5-methylphenyl)-N-methylmethanesulfonamide.
What is the SMILES notation for N-(2-tert-butyl-4-fluoro-5-methylphenyl)-N-methylmethanesulfonamide?
The canonical SMILES for N-(2-tert-butyl-4-fluoro-5-methylphenyl)-N-methylmethanesulfonamide is Cc1cc(N(C)S(C)(=O)=O)c(C(C)(C)C)cc1F.
What is the InChIKey of N-(2-tert-butyl-4-fluoro-5-methylphenyl)-N-methylmethanesulfonamide?
The InChIKey is CKMWTAMHPQNLKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20FNO2S/c1-9-7-12(15(5)18(6,16)17)10(8-11(9)14)13(2,3)4/h7-8H,1-6H3.
What are the key properties of N-(2-tert-butyl-4-fluoro-5-methylphenyl)-N-methylmethanesulfonamide?
N-(2-tert-butyl-4-fluoro-5-methylphenyl)-N-methylmethanesulfonamide has a molecular weight of 273.37 g/mol, XLogP of 2.83, 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-4-fluoro-5-methylphenyl)-N-methylmethanesulfonamide is sourced from PubChem (CID 171399408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).