2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide

C11H14Cl2N2O3S — CID 43094521

IUPAC2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O3S/c1-19(17,18)3-2-10(14)11(16)15-9-5-7(12)4-8(13)6-9/h4-6,10H,2-3,14H2,1H3,(H,15,16)
InChIKeyHLZLOQFISQLMAE-UHFFFAOYSA-N
MW325.22 g/mol
LogP1.69
Rot. Bonds5

About 2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide

2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide (PubChem CID 43094521) has the molecular formula C11H14Cl2N2O3S and a molecular weight of 325.22 g/mol. Its IUPAC name is 2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide
PubChem CID43094521
Molecular FormulaC11H14Cl2N2O3S
Molecular Weight325.22 g/mol
Exact Mass324.01
IUPAC Name2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)Nc1cc(Cl)cc(Cl)c1
InChIInChI=1S/C11H14Cl2N2O3S/c1-19(17,18)3-2-10(14)11(16)15-9-5-7(12)4-8(13)6-9/h4-6,10H,2-3,14H2,1H3,(H,15,16)
InChIKeyHLZLOQFISQLMAE-UHFFFAOYSA-N
XLogP1.69
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.22
LogP ≤ 51.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide
CID 24702867
N-(4-acetamidophenyl)-2-amino-4-methylsulfonylbutanamide
CID 43109034
2-amino-4-methylsulfonyl-N-(2,4,5-trichlorophenyl)butanamide
CID 43097188
2-amino-N-(2-chloro-5-fluorophenyl)-4-methylsulfonylbutanamide
CID 103827501
2-amino-N-(4-chloro-2-pyridinyl)-4-methylsulfonylbutanamide
CID 114052256
(2S)-2-amino-N-(3,5-dichlorophenyl)-4-phenylbutanamide
CID 104983740
2-amino-N-(3-iodophenyl)-4-methylsulfonylbutanamide
CID 43124627
2-amino-N-(3-fluoro-4-methylphenyl)-4-methylsulfonylbutanamide
CID 24699608
2-amino-N-[3-chloro-4-(2-methylpropoxy)phenyl]-4-methylsulfonylbutanamide
CID 119956470
4-[(2-amino-4-methylsulfonylbutanoyl)amino]-N-methylbenzamide
CID 43702745
2-amino-N-(2-chloro-4-iodophenyl)-4-methylsulfonylbutanamide
CID 43713313
2-amino-N-(3-methoxyphenyl)-4-methylsulfonylbutanamide
CID 24711240

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide (CID 43094521) is 2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide is CS(=O)(=O)CCC(N)C(=O)Nc1cc(Cl)cc(Cl)c1.
What is the InChIKey of 2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide?
The InChIKey is HLZLOQFISQLMAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14Cl2N2O3S/c1-19(17,18)3-2-10(14)11(16)15-9-5-7(12)4-8(13)6-9/h4-6,10H,2-3,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide?
2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide has a molecular weight of 325.22 g/mol, XLogP of 1.69, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 43094521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).