3-(2-amino-4-chlorophenyl)sulfinyl-N-ethylpropanamide

C11H15ClN2O2S — CID 81175579

IUPAC3-(2-amino-4-chlorophenyl)sulfinyl-N-ethylpropanamide
SMILESCCNC(=O)CCS(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C11H15ClN2O2S/c1-2-14-11(15)5-6-17(16)10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6,13H2,1H3,(H,14,15)
InChIKeyVQBVLAMLUFXJCP-UHFFFAOYSA-N
MW274.77 g/mol
LogP1.56
Rot. Bonds5

About 3-(2-amino-4-chlorophenyl)sulfinyl-N-ethylpropanamide

3-(2-amino-4-chlorophenyl)sulfinyl-N-ethylpropanamide (PubChem CID 81175579) has the molecular formula C11H15ClN2O2S and a molecular weight of 274.77 g/mol. Its IUPAC name is 3-(2-amino-4-chlorophenyl)sulfinyl-N-ethylpropanamide.

Molecular Properties

Compound Name3-(2-amino-4-chlorophenyl)sulfinyl-N-ethylpropanamide
PubChem CID81175579
Molecular FormulaC11H15ClN2O2S
Molecular Weight274.77 g/mol
Exact Mass274.05
IUPAC Name3-(2-amino-4-chlorophenyl)sulfinyl-N-ethylpropanamide
SMILESCCNC(=O)CCS(=O)c1ccc(Cl)cc1N
InChIInChI=1S/C11H15ClN2O2S/c1-2-14-11(15)5-6-17(16)10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6,13H2,1H3,(H,14,15)
InChIKeyVQBVLAMLUFXJCP-UHFFFAOYSA-N
XLogP1.56
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.77
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-propylsulfinylaniline
CID 81175936
3-(2-amino-5-fluorophenyl)sulfinyl-N-ethylpropanamide
CID 81184008
5-chloro-2-heptylsulfinylaniline
CID 81175948
2-(2-amino-4-chlorophenyl)sulfinyl-N-(2-methylbutan-2-yl)acetamide
CID 81175808
2-(2-amino-4-chlorophenyl)sulfinyl-N-butan-2-ylacetamide
CID 81174970
5-chloro-2-(2-methylsulfonylethylsulfinyl)aniline
CID 81175460
5-chloro-2-(3,3-dimethylbutylsulfinyl)aniline
CID 81175330
2-(2-amino-4-methylphenyl)sulfinyl-N-ethylacetamide
CID 81181058
2-(2-amino-4-chlorophenyl)sulfinylacetamide
CID 81176063
2-(2-amino-4-chloroanilino)-N-ethylacetamide
CID 43566811
2-amino-4-chloro-N-[2-(ethylamino)-2-oxoethyl]-N-methylbenzamide
CID 61115646
N-(2-amino-4-chlorophenyl)-3-propylsulfinylpropanamide
CID 61304444

Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-4-chlorophenyl)sulfinyl-N-ethylpropanamide?
The IUPAC name of 3-(2-amino-4-chlorophenyl)sulfinyl-N-ethylpropanamide (CID 81175579) is 3-(2-amino-4-chlorophenyl)sulfinyl-N-ethylpropanamide.
What is the SMILES notation for 3-(2-amino-4-chlorophenyl)sulfinyl-N-ethylpropanamide?
The canonical SMILES for 3-(2-amino-4-chlorophenyl)sulfinyl-N-ethylpropanamide is CCNC(=O)CCS(=O)c1ccc(Cl)cc1N.
What is the InChIKey of 3-(2-amino-4-chlorophenyl)sulfinyl-N-ethylpropanamide?
The InChIKey is VQBVLAMLUFXJCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O2S/c1-2-14-11(15)5-6-17(16)10-4-3-8(12)7-9(10)13/h3-4,7H,2,5-6,13H2,1H3,(H,14,15).
What are the key properties of 3-(2-amino-4-chlorophenyl)sulfinyl-N-ethylpropanamide?
3-(2-amino-4-chlorophenyl)sulfinyl-N-ethylpropanamide has a molecular weight of 274.77 g/mol, XLogP of 1.56, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-4-chlorophenyl)sulfinyl-N-ethylpropanamide is sourced from PubChem (CID 81175579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).