2-(4-aminophenyl)sulfonyl-N-ethylpropanamide

C11H16N2O3S — CID 61366686

IUPAC2-(4-aminophenyl)sulfonyl-N-ethylpropanamide
SMILESCCNC(=O)C(C)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H16N2O3S/c1-3-13-11(14)8(2)17(15,16)10-6-4-9(12)5-7-10/h4-8H,3,12H2,1-2H3,(H,13,14)
InChIKeyBFGHPFDGHUKIBI-UHFFFAOYSA-N
MW256.33 g/mol
LogP0.57
Rot. Bonds4

About 2-(4-aminophenyl)sulfonyl-N-ethylpropanamide

2-(4-aminophenyl)sulfonyl-N-ethylpropanamide (PubChem CID 61366686) has the molecular formula C11H16N2O3S and a molecular weight of 256.33 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfonyl-N-ethylpropanamide.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfonyl-N-ethylpropanamide
PubChem CID61366686
Molecular FormulaC11H16N2O3S
Molecular Weight256.33 g/mol
Exact Mass256.09
IUPAC Name2-(4-aminophenyl)sulfonyl-N-ethylpropanamide
SMILESCCNC(=O)C(C)S(=O)(=O)c1ccc(N)cc1
InChIInChI=1S/C11H16N2O3S/c1-3-13-11(14)8(2)17(15,16)10-6-4-9(12)5-7-10/h4-8H,3,12H2,1-2H3,(H,13,14)
InChIKeyBFGHPFDGHUKIBI-UHFFFAOYSA-N
XLogP0.57
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.33
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfonyl-N-ethylpropanamide?
The IUPAC name of 2-(4-aminophenyl)sulfonyl-N-ethylpropanamide (CID 61366686) is 2-(4-aminophenyl)sulfonyl-N-ethylpropanamide.
What is the SMILES notation for 2-(4-aminophenyl)sulfonyl-N-ethylpropanamide?
The canonical SMILES for 2-(4-aminophenyl)sulfonyl-N-ethylpropanamide is CCNC(=O)C(C)S(=O)(=O)c1ccc(N)cc1.
What is the InChIKey of 2-(4-aminophenyl)sulfonyl-N-ethylpropanamide?
The InChIKey is BFGHPFDGHUKIBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3S/c1-3-13-11(14)8(2)17(15,16)10-6-4-9(12)5-7-10/h4-8H,3,12H2,1-2H3,(H,13,14).
What are the key properties of 2-(4-aminophenyl)sulfonyl-N-ethylpropanamide?
2-(4-aminophenyl)sulfonyl-N-ethylpropanamide has a molecular weight of 256.33 g/mol, XLogP of 0.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfonyl-N-ethylpropanamide is sourced from PubChem (CID 61366686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).