2-amino-N-(2-chloro-4-iodophenyl)-4-methylsulfonylbutanamide

C11H14ClIN2O3S — CID 43713313

IUPAC2-amino-N-(2-chloro-4-iodophenyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C11H14ClIN2O3S/c1-19(17,18)5-4-9(14)11(16)15-10-3-2-7(13)6-8(10)12/h2-3,6,9H,4-5,14H2,1H3,(H,15,16)
InChIKeyUZNPKWCHWPQYCE-UHFFFAOYSA-N
MW416.67 g/mol
LogP1.65
Rot. Bonds5

About 2-amino-N-(2-chloro-4-iodophenyl)-4-methylsulfonylbutanamide

2-amino-N-(2-chloro-4-iodophenyl)-4-methylsulfonylbutanamide (PubChem CID 43713313) has the molecular formula C11H14ClIN2O3S and a molecular weight of 416.67 g/mol. Its IUPAC name is 2-amino-N-(2-chloro-4-iodophenyl)-4-methylsulfonylbutanamide.

Molecular Properties

Compound Name2-amino-N-(2-chloro-4-iodophenyl)-4-methylsulfonylbutanamide
PubChem CID43713313
Molecular FormulaC11H14ClIN2O3S
Molecular Weight416.67 g/mol
Exact Mass415.95
IUPAC Name2-amino-N-(2-chloro-4-iodophenyl)-4-methylsulfonylbutanamide
SMILESCS(=O)(=O)CCC(N)C(=O)Nc1ccc(I)cc1Cl
InChIInChI=1S/C11H14ClIN2O3S/c1-19(17,18)5-4-9(14)11(16)15-10-3-2-7(13)6-8(10)12/h2-3,6,9H,4-5,14H2,1H3,(H,15,16)
InChIKeyUZNPKWCHWPQYCE-UHFFFAOYSA-N
XLogP1.65
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.67
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

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-(3-iodophenyl)-4-methylsulfonylbutanamide
CID 43124627
2-(aminomethyl)-N-(2-chloro-4-iodophenyl)-4,4-dimethylpentanamide
CID 107471421
2-amino-N-(3,5-dichlorophenyl)-4-methylsulfonylbutanamide
CID 43094521
2-amino-N-(2,5-difluoro-4-methylphenyl)-4-methylsulfonylbutanamide
CID 103586036
2-bromo-N-(2-chloro-4-iodophenyl)propanamide
CID 107903978
2-carbamothioyl-N-(2-chloro-4-iodophenyl)pentanamide
CID 107605669
1-(2-chloro-4-iodophenyl)-3-(2-sulfamoylethyl)urea
CID 112837932
2-amino-N-(3,5-dimethylphenyl)-4-methylsulfonylbutanamide
CID 24702867
N-(2-chloro-4-iodophenyl)acetamide
CID 18434368
(2R)-2-amino-N-(2-chloro-4-iodophenyl)-2-phenylacetamide
CID 61180487

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-(2-chloro-4-iodophenyl)-4-methylsulfonylbutanamide?
The IUPAC name of 2-amino-N-(2-chloro-4-iodophenyl)-4-methylsulfonylbutanamide (CID 43713313) is 2-amino-N-(2-chloro-4-iodophenyl)-4-methylsulfonylbutanamide.
What is the SMILES notation for 2-amino-N-(2-chloro-4-iodophenyl)-4-methylsulfonylbutanamide?
The canonical SMILES for 2-amino-N-(2-chloro-4-iodophenyl)-4-methylsulfonylbutanamide is CS(=O)(=O)CCC(N)C(=O)Nc1ccc(I)cc1Cl.
What is the InChIKey of 2-amino-N-(2-chloro-4-iodophenyl)-4-methylsulfonylbutanamide?
The InChIKey is UZNPKWCHWPQYCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14ClIN2O3S/c1-19(17,18)5-4-9(14)11(16)15-10-3-2-7(13)6-8(10)12/h2-3,6,9H,4-5,14H2,1H3,(H,15,16).
What are the key properties of 2-amino-N-(2-chloro-4-iodophenyl)-4-methylsulfonylbutanamide?
2-amino-N-(2-chloro-4-iodophenyl)-4-methylsulfonylbutanamide has a molecular weight of 416.67 g/mol, XLogP of 1.65, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-(2-chloro-4-iodophenyl)-4-methylsulfonylbutanamide is sourced from PubChem (CID 43713313), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).