N-[2-[butan-2-yl(methyl)amino]-5-fluorophenyl]-N-tert-butylmethanesulfonamide

C16H27FN2O2S — CID 70811628

IUPACN-[2-[butan-2-yl(methyl)amino]-5-fluorophenyl]-N-tert-butylmethanesulfonamide
SMILESCCC(C)N(C)c1ccc(F)cc1N(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C16H27FN2O2S/c1-8-12(2)18(6)14-10-9-13(17)11-15(14)19(16(3,4)5)22(7,20)21/h9-12H,8H2,1-7H3
InChIKeyUNYRJZTVOIEGIF-UHFFFAOYSA-N
MW330.47 g/mol
LogP3.62
Rot. Bonds5

About N-[2-[butan-2-yl(methyl)amino]-5-fluorophenyl]-N-tert-butylmethanesulfonamide

N-[2-[butan-2-yl(methyl)amino]-5-fluorophenyl]-N-tert-butylmethanesulfonamide (PubChem CID 70811628) has the molecular formula C16H27FN2O2S and a molecular weight of 330.47 g/mol. Its IUPAC name is N-[2-[butan-2-yl(methyl)amino]-5-fluorophenyl]-N-tert-butylmethanesulfonamide.

Molecular Properties

Compound NameN-[2-[butan-2-yl(methyl)amino]-5-fluorophenyl]-N-tert-butylmethanesulfonamide
PubChem CID70811628
Molecular FormulaC16H27FN2O2S
Molecular Weight330.47 g/mol
Exact Mass330.18
IUPAC NameN-[2-[butan-2-yl(methyl)amino]-5-fluorophenyl]-N-tert-butylmethanesulfonamide
SMILESCCC(C)N(C)c1ccc(F)cc1N(C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C16H27FN2O2S/c1-8-12(2)18(6)14-10-9-13(17)11-15(14)19(16(3,4)5)22(7,20)21/h9-12H,8H2,1-7H3
InChIKeyUNYRJZTVOIEGIF-UHFFFAOYSA-N
XLogP3.62
TPSA40.62 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.47
LogP ≤ 53.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[2-[butan-2-yl(methyl)amino]-5-fluorophenyl]-N-tert-butylmethanesulfonamide?
The IUPAC name of N-[2-[butan-2-yl(methyl)amino]-5-fluorophenyl]-N-tert-butylmethanesulfonamide (CID 70811628) is N-[2-[butan-2-yl(methyl)amino]-5-fluorophenyl]-N-tert-butylmethanesulfonamide.
What is the SMILES notation for N-[2-[butan-2-yl(methyl)amino]-5-fluorophenyl]-N-tert-butylmethanesulfonamide?
The canonical SMILES for N-[2-[butan-2-yl(methyl)amino]-5-fluorophenyl]-N-tert-butylmethanesulfonamide is CCC(C)N(C)c1ccc(F)cc1N(C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-[2-[butan-2-yl(methyl)amino]-5-fluorophenyl]-N-tert-butylmethanesulfonamide?
The InChIKey is UNYRJZTVOIEGIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27FN2O2S/c1-8-12(2)18(6)14-10-9-13(17)11-15(14)19(16(3,4)5)22(7,20)21/h9-12H,8H2,1-7H3.
What are the key properties of N-[2-[butan-2-yl(methyl)amino]-5-fluorophenyl]-N-tert-butylmethanesulfonamide?
N-[2-[butan-2-yl(methyl)amino]-5-fluorophenyl]-N-tert-butylmethanesulfonamide has a molecular weight of 330.47 g/mol, XLogP of 3.62, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[butan-2-yl(methyl)amino]-5-fluorophenyl]-N-tert-butylmethanesulfonamide is sourced from PubChem (CID 70811628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).