N-[(2R)-2-(4-fluorophenyl)propyl]-2-(methylsulfonylmethyl)aniline

C17H20FNO2S — CID 99857126

IUPACN-[(2R)-2-(4-fluorophenyl)propyl]-2-(methylsulfonylmethyl)aniline
SMILESC[C@@H](CNc1ccccc1CS(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO2S/c1-13(14-7-9-16(18)10-8-14)11-19-17-6-4-3-5-15(17)12-22(2,20)21/h3-10,13,19H,11-12H2,1-2H3/t13-/m0/s1
InChIKeyOKNCQFUIHNUDDY-ZDUSSCGKSA-N
MW321.42 g/mol
LogP3.59
Rot. Bonds6

About N-[(2R)-2-(4-fluorophenyl)propyl]-2-(methylsulfonylmethyl)aniline

N-[(2R)-2-(4-fluorophenyl)propyl]-2-(methylsulfonylmethyl)aniline (PubChem CID 99857126) has the molecular formula C17H20FNO2S and a molecular weight of 321.42 g/mol. Its IUPAC name is N-[(2R)-2-(4-fluorophenyl)propyl]-2-(methylsulfonylmethyl)aniline.

Molecular Properties

Compound NameN-[(2R)-2-(4-fluorophenyl)propyl]-2-(methylsulfonylmethyl)aniline
PubChem CID99857126
Molecular FormulaC17H20FNO2S
Molecular Weight321.42 g/mol
Exact Mass321.12
IUPAC NameN-[(2R)-2-(4-fluorophenyl)propyl]-2-(methylsulfonylmethyl)aniline
SMILESC[C@@H](CNc1ccccc1CS(C)(=O)=O)c1ccc(F)cc1
InChIInChI=1S/C17H20FNO2S/c1-13(14-7-9-16(18)10-8-14)11-19-17-6-4-3-5-15(17)12-22(2,20)21/h3-10,13,19H,11-12H2,1-2H3/t13-/m0/s1
InChIKeyOKNCQFUIHNUDDY-ZDUSSCGKSA-N
XLogP3.59
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-fluoro-1-N-(2-phenylpropyl)benzene-1,2-diamine
CID 104591215
N-[1-[2-(4-fluorophenyl)propylamino]-2-methylpropan-2-yl]methanesulfonamide
CID 84596648
1-(4-fluorophenyl)-2-(2-phenylpropylamino)ethanol
CID 115577350
1-(2-fluorophenyl)-N-[(1R)-1-(4-fluorophenyl)ethyl]methanesulfonamide
CID 93487236
3-fluoro-4-(2-phenylpropylamino)benzenesulfonamide
CID 115576985
1-[2-(methylsulfonylmethyl)phenyl]-3-(4-phenylbutan-2-yl)urea
CID 60603578
3-(2-fluorophenyl)-N-[2-(4-fluorophenyl)propyl]propanamide
CID 110279623
1-(4-fluorophenyl)-2-[(2-methylphenyl)methylsulfonyl]ethanol
CID 47559298
N-(2-phenylpropyl)methanesulfonamide
CID 47121755
2-(4-fluorophenyl)-N-(2-methylpropyl)-4-methylsulfonylbutan-1-amine
CID 79437459
2-(methylsulfonylmethyl)-N-[(3-phenyl-1,2-oxazol-5-yl)methyl]aniline
CID 56790662
1-N-(2-phenylpropyl)-3-propan-2-yloxybenzene-1,2-diamine
CID 104591312

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(4-fluorophenyl)propyl]-2-(methylsulfonylmethyl)aniline?
The IUPAC name of N-[(2R)-2-(4-fluorophenyl)propyl]-2-(methylsulfonylmethyl)aniline (CID 99857126) is N-[(2R)-2-(4-fluorophenyl)propyl]-2-(methylsulfonylmethyl)aniline.
What is the SMILES notation for N-[(2R)-2-(4-fluorophenyl)propyl]-2-(methylsulfonylmethyl)aniline?
The canonical SMILES for N-[(2R)-2-(4-fluorophenyl)propyl]-2-(methylsulfonylmethyl)aniline is C[C@@H](CNc1ccccc1CS(C)(=O)=O)c1ccc(F)cc1.
What is the InChIKey of N-[(2R)-2-(4-fluorophenyl)propyl]-2-(methylsulfonylmethyl)aniline?
The InChIKey is OKNCQFUIHNUDDY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H20FNO2S/c1-13(14-7-9-16(18)10-8-14)11-19-17-6-4-3-5-15(17)12-22(2,20)21/h3-10,13,19H,11-12H2,1-2H3/t13-/m0/s1.
What are the key properties of N-[(2R)-2-(4-fluorophenyl)propyl]-2-(methylsulfonylmethyl)aniline?
N-[(2R)-2-(4-fluorophenyl)propyl]-2-(methylsulfonylmethyl)aniline has a molecular weight of 321.42 g/mol, XLogP of 3.59, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(4-fluorophenyl)propyl]-2-(methylsulfonylmethyl)aniline is sourced from PubChem (CID 99857126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).