N-[1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-yl]methanesulfonamide

C13H21FN2O3S — CID 63859862

IUPACN-[1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCC(O)c1ccccc1F)NS(C)(=O)=O
InChIInChI=1S/C13H21FN2O3S/c1-13(2,16-20(3,18)19)9-15-8-12(17)10-6-4-5-7-11(10)14/h4-7,12,15-17H,8-9H2,1-3H3
InChIKeyJUHQXQXBTVWDFB-UHFFFAOYSA-N
MW304.39 g/mol
LogP0.78
Rot. Bonds7

About N-[1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-yl]methanesulfonamide

N-[1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-yl]methanesulfonamide (PubChem CID 63859862) has the molecular formula C13H21FN2O3S and a molecular weight of 304.39 g/mol. Its IUPAC name is N-[1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-yl]methanesulfonamide.

Molecular Properties

Compound NameN-[1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-yl]methanesulfonamide
PubChem CID63859862
Molecular FormulaC13H21FN2O3S
Molecular Weight304.39 g/mol
Exact Mass304.13
IUPAC NameN-[1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-yl]methanesulfonamide
SMILESCC(C)(CNCC(O)c1ccccc1F)NS(C)(=O)=O
InChIInChI=1S/C13H21FN2O3S/c1-13(2,16-20(3,18)19)9-15-8-12(17)10-6-4-5-7-11(10)14/h4-7,12,15-17H,8-9H2,1-3H3
InChIKeyJUHQXQXBTVWDFB-UHFFFAOYSA-N
XLogP0.78
TPSA78.43 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.39
LogP ≤ 50.78
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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ethyl 2-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]acetate
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1-(2-fluorophenyl)-2-[(1-methoxy-2-methylpropan-2-yl)amino]ethanol
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3-ethyl-1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]pentan-2-ol
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CID 60896520
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Frequently Asked Questions

What is the IUPAC name of N-[1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-yl]methanesulfonamide?
The IUPAC name of N-[1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-yl]methanesulfonamide (CID 63859862) is N-[1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-yl]methanesulfonamide.
What is the SMILES notation for N-[1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-yl]methanesulfonamide?
The canonical SMILES for N-[1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-yl]methanesulfonamide is CC(C)(CNCC(O)c1ccccc1F)NS(C)(=O)=O.
What is the InChIKey of N-[1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-yl]methanesulfonamide?
The InChIKey is JUHQXQXBTVWDFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21FN2O3S/c1-13(2,16-20(3,18)19)9-15-8-12(17)10-6-4-5-7-11(10)14/h4-7,12,15-17H,8-9H2,1-3H3.
What are the key properties of N-[1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-yl]methanesulfonamide?
N-[1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-yl]methanesulfonamide has a molecular weight of 304.39 g/mol, XLogP of 0.78, 7 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[[2-(2-fluorophenyl)-2-hydroxyethyl]amino]-2-methylpropan-2-yl]methanesulfonamide is sourced from PubChem (CID 63859862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).