(2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide

C11H15ClN2O3S — CID 79025267

IUPAC(2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide
SMILESCC[C@H](N)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C11H15ClN2O3S/c1-3-9(13)11(15)14-10-6-7(18(2,16)17)4-5-8(10)12/h4-6,9H,3,13H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyJIYJCKYQAHOAAY-VIFPVBQESA-N
MW290.77 g/mol
LogP1.42
Rot. Bonds4

About (2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide

(2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide (PubChem CID 79025267) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is (2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name(2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide
PubChem CID79025267
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC Name(2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide
SMILESCC[C@H](N)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl
InChIInChI=1S/C11H15ClN2O3S/c1-3-9(13)11(15)14-10-6-7(18(2,16)17)4-5-8(10)12/h4-6,9H,3,13H2,1-2H3,(H,14,15)/t9-/m0/s1
InChIKeyJIYJCKYQAHOAAY-VIFPVBQESA-N
XLogP1.42
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.77
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-2-amino-N-(2-hydroxy-5-methylsulfonylphenyl)butanamide
CID 81434349
2-amino-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 43703439
2-(aminomethyl)-N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 65225878
N-(2-chloro-5-methylsulfonylphenyl)-2,2-difluoroacetamide
CID 113218224
2-bromo-N-(2-chloro-5-methylsulfonylphenyl)propanamide
CID 107902980
(2S)-2-amino-N-(2-chloro-5-sulfamoylphenyl)pentanamide
CID 107568676
3-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 54924414
N-(2-chloro-5-methylsulfonylphenyl)butanamide
CID 60629893
(2S)-2-amino-N-(2-methyl-5-methylsulfonylphenyl)pentanamide
CID 107568455
3-(2-chloro-5-methylsulfonylanilino)-3-oxopropanoic acid
CID 62232235
2-bromo-N-(2-chloro-5-methylsulfonylphenyl)acetamide
CID 60651950
2-amino-N-(2-chloro-5-fluorophenyl)-4-methylsulfonylbutanamide
CID 103827501

Frequently Asked Questions

What is the IUPAC name of (2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide?
The IUPAC name of (2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide (CID 79025267) is (2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide.
What is the SMILES notation for (2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide?
The canonical SMILES for (2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide is CC[C@H](N)C(=O)Nc1cc(S(C)(=O)=O)ccc1Cl.
What is the InChIKey of (2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide?
The InChIKey is JIYJCKYQAHOAAY-VIFPVBQESA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-3-9(13)11(15)14-10-6-7(18(2,16)17)4-5-8(10)12/h4-6,9H,3,13H2,1-2H3,(H,14,15)/t9-/m0/s1.
What are the key properties of (2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide?
(2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide has a molecular weight of 290.77 g/mol, XLogP of 1.42, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-amino-N-(2-chloro-5-methylsulfonylphenyl)butanamide is sourced from PubChem (CID 79025267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).