N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide

C11H15ClN2O3S — CID 43382322

IUPACN-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide
SMILESCCS(=O)(=O)C(C)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C11H15ClN2O3S/c1-3-18(16,17)7(2)11(15)14-10-5-4-8(13)6-9(10)12/h4-7H,3,13H2,1-2H3,(H,14,15)
InChIKeyRVIDBUNGZKFUQJ-UHFFFAOYSA-N
MW290.77 g/mol
LogP1.68
Rot. Bonds4

About N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide

N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide (PubChem CID 43382322) has the molecular formula C11H15ClN2O3S and a molecular weight of 290.77 g/mol. Its IUPAC name is N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide.

Molecular Properties

Compound NameN-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide
PubChem CID43382322
Molecular FormulaC11H15ClN2O3S
Molecular Weight290.77 g/mol
Exact Mass290.05
IUPAC NameN-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide
SMILESCCS(=O)(=O)C(C)C(=O)Nc1ccc(N)cc1Cl
InChIInChI=1S/C11H15ClN2O3S/c1-3-18(16,17)7(2)11(15)14-10-5-4-8(13)6-9(10)12/h4-7H,3,13H2,1-2H3,(H,14,15)
InChIKeyRVIDBUNGZKFUQJ-UHFFFAOYSA-N
XLogP1.68
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 ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-amino-2-chlorophenyl)-2-pentylsulfonylpropanamide
CID 107751449
N-(4-amino-2-methylphenyl)-2-ethylsulfonylpropanamide
CID 43382336
methyl 2-[1-(4-amino-2-chloroanilino)-1-oxopropan-2-yl]sulfonylacetate
CID 43618134
N-(4-amino-2-chlorophenyl)-2-methoxypropanamide
CID 16788780
N-(4-amino-2-chlorophenyl)-2-butan-2-yloxypropanamide
CID 54943567
N-(4-amino-2-methylphenyl)-2-(2-methylbutylsulfonyl)propanamide
CID 107751582
N-(4-amino-2-chlorophenyl)-2-(dimethylamino)-3-methylbutanamide
CID 82224762
N-(4-amino-2-chlorophenyl)-2-(2-propoxyethoxy)propanamide
CID 63686885
N-(4-amino-2-chlorophenyl)-4-methylpentanamide
CID 28776887
1-(4-amino-2-chlorophenyl)-3-(3-methylbutyl)urea
CID 127574183
N-(5-amino-2-fluorophenyl)-2-butylsulfonylpropanamide
CID 43615880
ethyl 2-[1-(4-amino-2-chloroanilino)-1-oxopropan-2-yl]sulfanylacetate
CID 43618307

Frequently Asked Questions

What is the IUPAC name of N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide?
The IUPAC name of N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide (CID 43382322) is N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide.
What is the SMILES notation for N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide?
The canonical SMILES for N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide is CCS(=O)(=O)C(C)C(=O)Nc1ccc(N)cc1Cl.
What is the InChIKey of N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide?
The InChIKey is RVIDBUNGZKFUQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15ClN2O3S/c1-3-18(16,17)7(2)11(15)14-10-5-4-8(13)6-9(10)12/h4-7H,3,13H2,1-2H3,(H,14,15).
What are the key properties of N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide?
N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide has a molecular weight of 290.77 g/mol, XLogP of 1.68, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-amino-2-chlorophenyl)-2-ethylsulfonylpropanamide is sourced from PubChem (CID 43382322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).