(2S)-N-[(S)-(3-fluorophenyl)-phenylmethyl]-2-methoxypropane-1-sulfonamide

C17H20FNO3S — CID 99843822

IUPAC(2S)-N-[(S)-(3-fluorophenyl)-phenylmethyl]-2-methoxypropane-1-sulfonamide
SMILESCO[C@@H](C)CS(=O)(=O)N[C@@H](c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C17H20FNO3S/c1-13(22-2)12-23(20,21)19-17(14-7-4-3-5-8-14)15-9-6-10-16(18)11-15/h3-11,13,17,19H,12H2,1-2H3/t13-,17-/m0/s1
InChIKeyWDBFCYXTHVTMLV-GUYCJALGSA-N
MW337.42 g/mol
LogP2.87
Rot. Bonds7

About (2S)-N-[(S)-(3-fluorophenyl)-phenylmethyl]-2-methoxypropane-1-sulfonamide

(2S)-N-[(S)-(3-fluorophenyl)-phenylmethyl]-2-methoxypropane-1-sulfonamide (PubChem CID 99843822) has the molecular formula C17H20FNO3S and a molecular weight of 337.42 g/mol. Its IUPAC name is (2S)-N-[(S)-(3-fluorophenyl)-phenylmethyl]-2-methoxypropane-1-sulfonamide.

Molecular Properties

Compound Name(2S)-N-[(S)-(3-fluorophenyl)-phenylmethyl]-2-methoxypropane-1-sulfonamide
PubChem CID99843822
Molecular FormulaC17H20FNO3S
Molecular Weight337.42 g/mol
Exact Mass337.11
IUPAC Name(2S)-N-[(S)-(3-fluorophenyl)-phenylmethyl]-2-methoxypropane-1-sulfonamide
SMILESCO[C@@H](C)CS(=O)(=O)N[C@@H](c1ccccc1)c1cccc(F)c1
InChIInChI=1S/C17H20FNO3S/c1-13(22-2)12-23(20,21)19-17(14-7-4-3-5-8-14)15-9-6-10-16(18)11-15/h3-11,13,17,19H,12H2,1-2H3/t13-,17-/m0/s1
InChIKeyWDBFCYXTHVTMLV-GUYCJALGSA-N
XLogP2.87
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.42
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(2-methoxypropylsulfonylamino)-2-phenylacetic acid
CID 122067686
3-chloro-N-[(1S)-1-(3-fluorophenyl)ethyl]-2-methylpropane-1-sulfonamide
CID 107858748
N-[(1R)-1-(3-fluorophenyl)ethyl]propane-2-sulfonamide
CID 81366537
N-benzhydryl-3-fluorobenzenesulfonamide
CID 3697866
2-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]ethanesulfonamide
CID 107858739
2-(3-fluorophenyl)-2-methoxyethanesulfonic acid
CID 115040043
1-bromo-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 83086983
1-chloro-N-[1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 63666225
1-chloro-N-[(1R)-1-(3-fluorophenyl)ethyl]methanesulfonamide
CID 107858740
N-benzhydryl-2-(4-fluorophenoxy)ethanesulfonamide
CID 90518568
1-(3-fluorophenyl)-4-methoxypentan-1-amine
CID 105092989
2-[1-(3-fluorophenyl)ethylsulfamoyl]propanoic acid
CID 54964068

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[(S)-(3-fluorophenyl)-phenylmethyl]-2-methoxypropane-1-sulfonamide?
The IUPAC name of (2S)-N-[(S)-(3-fluorophenyl)-phenylmethyl]-2-methoxypropane-1-sulfonamide (CID 99843822) is (2S)-N-[(S)-(3-fluorophenyl)-phenylmethyl]-2-methoxypropane-1-sulfonamide.
What is the SMILES notation for (2S)-N-[(S)-(3-fluorophenyl)-phenylmethyl]-2-methoxypropane-1-sulfonamide?
The canonical SMILES for (2S)-N-[(S)-(3-fluorophenyl)-phenylmethyl]-2-methoxypropane-1-sulfonamide is CO[C@@H](C)CS(=O)(=O)N[C@@H](c1ccccc1)c1cccc(F)c1.
What is the InChIKey of (2S)-N-[(S)-(3-fluorophenyl)-phenylmethyl]-2-methoxypropane-1-sulfonamide?
The InChIKey is WDBFCYXTHVTMLV-GUYCJALGSA-N. The full InChI is InChI=1S/C17H20FNO3S/c1-13(22-2)12-23(20,21)19-17(14-7-4-3-5-8-14)15-9-6-10-16(18)11-15/h3-11,13,17,19H,12H2,1-2H3/t13-,17-/m0/s1.
What are the key properties of (2S)-N-[(S)-(3-fluorophenyl)-phenylmethyl]-2-methoxypropane-1-sulfonamide?
(2S)-N-[(S)-(3-fluorophenyl)-phenylmethyl]-2-methoxypropane-1-sulfonamide has a molecular weight of 337.42 g/mol, XLogP of 2.87, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[(S)-(3-fluorophenyl)-phenylmethyl]-2-methoxypropane-1-sulfonamide is sourced from PubChem (CID 99843822), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).