(2R)-2-amino-3-(4-fluorophenyl)-N-methylsulfonylpropanamide;hydrochloride

C10H14ClFN2O3S — CID 166436303

IUPAC(2R)-2-amino-3-(4-fluorophenyl)-N-methylsulfonylpropanamide;hydrochloride
SMILESCS(=O)(=O)NC(=O)[C@H](N)Cc1ccc(F)cc1.Cl
InChIInChI=1S/C10H13FN2O3S.ClH/c1-17(15,16)13-10(14)9(12)6-7-2-4-8(11)5-3-7;/h2-5,9H,6,12H2,1H3,(H,13,14);1H/t9-;/m1./s1
InChIKeyGSUZLUZKOYFSBE-SBSPUUFOSA-N
MW296.75 g/mol
LogP0.19
Rot. Bonds4

About (2R)-2-amino-3-(4-fluorophenyl)-N-methylsulfonylpropanamide;hydrochloride

(2R)-2-amino-3-(4-fluorophenyl)-N-methylsulfonylpropanamide;hydrochloride (PubChem CID 166436303) has the molecular formula C10H14ClFN2O3S and a molecular weight of 296.75 g/mol. Its IUPAC name is (2R)-2-amino-3-(4-fluorophenyl)-N-methylsulfonylpropanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-3-(4-fluorophenyl)-N-methylsulfonylpropanamide;hydrochloride
PubChem CID166436303
Molecular FormulaC10H14ClFN2O3S
Molecular Weight296.75 g/mol
Exact Mass296.04
IUPAC Name(2R)-2-amino-3-(4-fluorophenyl)-N-methylsulfonylpropanamide;hydrochloride
SMILESCS(=O)(=O)NC(=O)[C@H](N)Cc1ccc(F)cc1.Cl
InChIInChI=1S/C10H13FN2O3S.ClH/c1-17(15,16)13-10(14)9(12)6-7-2-4-8(11)5-3-7;/h2-5,9H,6,12H2,1H3,(H,13,14);1H/t9-;/m1./s1
InChIKeyGSUZLUZKOYFSBE-SBSPUUFOSA-N
XLogP0.19
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.75
LogP ≤ 50.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-methylsulfonyl-3-phenylpropanamide
CID 103287725
(2S)-2-amino-N-methylsulfonyl-3-phenylpropanamide
CID 103287274
methyl (2S)-2-amino-3-[4-(4-fluorophenyl)phenyl]propanoate;hydrochloride
CID 66719586
(2S)-2-amino-3-(4-fluorophenyl)propanoic acid
CID 716312
2-amino-N-(4-fluorophenyl)-3-(4-hydroxyphenyl)propanamide
CID 76891904
(2R)-2-amino-N-[(4-fluorophenyl)methyl]-3-(4-hydroxyphenyl)propanamide
CID 104904605
ethyl (2S)-2-amino-3-(4-fluorophenyl)propanoate
CID 7010712
2-amino-N-ethylsulfonyl-3-phenylpropanamide
CID 103307138
1-(4-fluorophenyl)-3-methylsulfonylpropan-2-amine
CID 62473089
2-amino-4-fluoro-4-methyl-N-methylsulfonylpentanamide;hydrochloride
CID 129050816
(2R)-2-amino-N-[1-(4-fluorophenyl)propan-2-yl]propanamide
CID 78919872
prop-2-enyl 2-amino-3-(4-fluorophenyl)propanoate;hydrochloride
CID 174107784

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-3-(4-fluorophenyl)-N-methylsulfonylpropanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-3-(4-fluorophenyl)-N-methylsulfonylpropanamide;hydrochloride (CID 166436303) is (2R)-2-amino-3-(4-fluorophenyl)-N-methylsulfonylpropanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-3-(4-fluorophenyl)-N-methylsulfonylpropanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-3-(4-fluorophenyl)-N-methylsulfonylpropanamide;hydrochloride is CS(=O)(=O)NC(=O)[C@H](N)Cc1ccc(F)cc1.Cl.
What is the InChIKey of (2R)-2-amino-3-(4-fluorophenyl)-N-methylsulfonylpropanamide;hydrochloride?
The InChIKey is GSUZLUZKOYFSBE-SBSPUUFOSA-N. The full InChI is InChI=1S/C10H13FN2O3S.ClH/c1-17(15,16)13-10(14)9(12)6-7-2-4-8(11)5-3-7;/h2-5,9H,6,12H2,1H3,(H,13,14);1H/t9-;/m1./s1.
What are the key properties of (2R)-2-amino-3-(4-fluorophenyl)-N-methylsulfonylpropanamide;hydrochloride?
(2R)-2-amino-3-(4-fluorophenyl)-N-methylsulfonylpropanamide;hydrochloride has a molecular weight of 296.75 g/mol, XLogP of 0.19, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-3-(4-fluorophenyl)-N-methylsulfonylpropanamide;hydrochloride is sourced from PubChem (CID 166436303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).