2-(2-aminophenyl)sulfonyl-N-pentan-2-ylpropanamide

C14H22N2O3S — CID 61368574

IUPAC2-(2-aminophenyl)sulfonyl-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C14H22N2O3S/c1-4-7-10(2)16-14(17)11(3)20(18,19)13-9-6-5-8-12(13)15/h5-6,8-11H,4,7,15H2,1-3H3,(H,16,17)
InChIKeySSDUEVOFZRLBMX-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.74
Rot. Bonds6

About 2-(2-aminophenyl)sulfonyl-N-pentan-2-ylpropanamide

2-(2-aminophenyl)sulfonyl-N-pentan-2-ylpropanamide (PubChem CID 61368574) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is 2-(2-aminophenyl)sulfonyl-N-pentan-2-ylpropanamide.

Molecular Properties

Compound Name2-(2-aminophenyl)sulfonyl-N-pentan-2-ylpropanamide
PubChem CID61368574
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC Name2-(2-aminophenyl)sulfonyl-N-pentan-2-ylpropanamide
SMILESCCCC(C)NC(=O)C(C)S(=O)(=O)c1ccccc1N
InChIInChI=1S/C14H22N2O3S/c1-4-7-10(2)16-14(17)11(3)20(18,19)13-9-6-5-8-12(13)15/h5-6,8-11H,4,7,15H2,1-3H3,(H,16,17)
InChIKeySSDUEVOFZRLBMX-UHFFFAOYSA-N
XLogP1.74
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.74
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-aminophenyl)sulfonyl-N-pentan-2-ylpropanamide?
The IUPAC name of 2-(2-aminophenyl)sulfonyl-N-pentan-2-ylpropanamide (CID 61368574) is 2-(2-aminophenyl)sulfonyl-N-pentan-2-ylpropanamide.
What is the SMILES notation for 2-(2-aminophenyl)sulfonyl-N-pentan-2-ylpropanamide?
The canonical SMILES for 2-(2-aminophenyl)sulfonyl-N-pentan-2-ylpropanamide is CCCC(C)NC(=O)C(C)S(=O)(=O)c1ccccc1N.
What is the InChIKey of 2-(2-aminophenyl)sulfonyl-N-pentan-2-ylpropanamide?
The InChIKey is SSDUEVOFZRLBMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-4-7-10(2)16-14(17)11(3)20(18,19)13-9-6-5-8-12(13)15/h5-6,8-11H,4,7,15H2,1-3H3,(H,16,17).
What are the key properties of 2-(2-aminophenyl)sulfonyl-N-pentan-2-ylpropanamide?
2-(2-aminophenyl)sulfonyl-N-pentan-2-ylpropanamide has a molecular weight of 298.41 g/mol, XLogP of 1.74, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminophenyl)sulfonyl-N-pentan-2-ylpropanamide is sourced from PubChem (CID 61368574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).