2-(2-amino-6-chlorophenyl)sulfonylpropanamide

C9H11ClN2O3S — CID 81186260

IUPAC2-(2-amino-6-chlorophenyl)sulfonylpropanamide
SMILESCC(C(N)=O)S(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C9H11ClN2O3S/c1-5(9(12)13)16(14,15)8-6(10)3-2-4-7(8)11/h2-5H,11H2,1H3,(H2,12,13)
InChIKeyZRFKKYXMWOEGKJ-UHFFFAOYSA-N
MW262.72 g/mol
LogP0.57
Rot. Bonds3

About 2-(2-amino-6-chlorophenyl)sulfonylpropanamide

2-(2-amino-6-chlorophenyl)sulfonylpropanamide (PubChem CID 81186260) has the molecular formula C9H11ClN2O3S and a molecular weight of 262.72 g/mol. Its IUPAC name is 2-(2-amino-6-chlorophenyl)sulfonylpropanamide.

Molecular Properties

Compound Name2-(2-amino-6-chlorophenyl)sulfonylpropanamide
PubChem CID81186260
Molecular FormulaC9H11ClN2O3S
Molecular Weight262.72 g/mol
Exact Mass262.02
IUPAC Name2-(2-amino-6-chlorophenyl)sulfonylpropanamide
SMILESCC(C(N)=O)S(=O)(=O)c1c(N)cccc1Cl
InChIInChI=1S/C9H11ClN2O3S/c1-5(9(12)13)16(14,15)8-6(10)3-2-4-7(8)11/h2-5H,11H2,1H3,(H2,12,13)
InChIKeyZRFKKYXMWOEGKJ-UHFFFAOYSA-N
XLogP0.57
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.72
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-(2-amino-6-chlorophenyl)sulfonylpropanamide?
The IUPAC name of 2-(2-amino-6-chlorophenyl)sulfonylpropanamide (CID 81186260) is 2-(2-amino-6-chlorophenyl)sulfonylpropanamide.
What is the SMILES notation for 2-(2-amino-6-chlorophenyl)sulfonylpropanamide?
The canonical SMILES for 2-(2-amino-6-chlorophenyl)sulfonylpropanamide is CC(C(N)=O)S(=O)(=O)c1c(N)cccc1Cl.
What is the InChIKey of 2-(2-amino-6-chlorophenyl)sulfonylpropanamide?
The InChIKey is ZRFKKYXMWOEGKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClN2O3S/c1-5(9(12)13)16(14,15)8-6(10)3-2-4-7(8)11/h2-5H,11H2,1H3,(H2,12,13).
What are the key properties of 2-(2-amino-6-chlorophenyl)sulfonylpropanamide?
2-(2-amino-6-chlorophenyl)sulfonylpropanamide has a molecular weight of 262.72 g/mol, XLogP of 0.57, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-6-chlorophenyl)sulfonylpropanamide is sourced from PubChem (CID 81186260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).