2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide

C10H13ClN2O3S — CID 103288038

IUPAC2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide
SMILESNC(=O)C(N)CS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C10H13ClN2O3S/c11-8-4-2-1-3-7(8)5-17(15,16)6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H2,13,14)
InChIKeyFUOSZCMQMQCXDI-UHFFFAOYSA-N
MW276.74 g/mol
LogP0.07
Rot. Bonds5

About 2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide

2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide (PubChem CID 103288038) has the molecular formula C10H13ClN2O3S and a molecular weight of 276.74 g/mol. Its IUPAC name is 2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide.

Molecular Properties

Compound Name2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide
PubChem CID103288038
Molecular FormulaC10H13ClN2O3S
Molecular Weight276.74 g/mol
Exact Mass276.03
IUPAC Name2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide
SMILESNC(=O)C(N)CS(=O)(=O)Cc1ccccc1Cl
InChIInChI=1S/C10H13ClN2O3S/c11-8-4-2-1-3-7(8)5-17(15,16)6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H2,13,14)
InChIKeyFUOSZCMQMQCXDI-UHFFFAOYSA-N
XLogP0.07
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.74
LogP ≤ 50.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-1-(2-chlorophenoxy)-3-[(2-chlorophenyl)methylsulfonyl]propan-2-ol
CID 40562244
N-(2-aminoethyl)-2-[(2-chlorophenyl)methylsulfonyl]acetamide
CID 103291290
1-chloro-2-(2-chloroethylsulfonylmethyl)benzene
CID 103288106
(2R)-2-amino-3-(2-chlorophenyl)propane-1-sulfonic acid
CID 58661581
1-[(2-chlorophenyl)methylsulfonyl]-N-ethyl-3-methylpentan-2-amine
CID 103290221
2-[(2-chlorophenyl)methylsulfonyl]-1-cyclopentylethanone
CID 103291146
[3-[(2-chlorophenyl)methylsulfonylmethyl]-2-fluorophenyl]methanamine
CID 107120185
3-bromo-5-[(2-chlorophenyl)methylsulfonylmethyl]aniline
CID 103351283
(2S)-2-[(2-chlorophenyl)methyl-methylamino]propanamide
CID 8541703
(1-amino-1-oxopropan-2-yl) 2-(2-chlorophenyl)acetate
CID 42903223
2-(2-chlorophenyl)acetic acid;sulfuric acid
CID 158269272
2-(2-chlorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide
CID 95625333

Frequently Asked Questions

What is the IUPAC name of 2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide?
The IUPAC name of 2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide (CID 103288038) is 2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide.
What is the SMILES notation for 2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide?
The canonical SMILES for 2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide is NC(=O)C(N)CS(=O)(=O)Cc1ccccc1Cl.
What is the InChIKey of 2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide?
The InChIKey is FUOSZCMQMQCXDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClN2O3S/c11-8-4-2-1-3-7(8)5-17(15,16)6-9(12)10(13)14/h1-4,9H,5-6,12H2,(H2,13,14).
What are the key properties of 2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide?
2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide has a molecular weight of 276.74 g/mol, XLogP of 0.07, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-[(2-chlorophenyl)methylsulfonyl]propanamide is sourced from PubChem (CID 103288038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).