2-(4-aminophenyl)sulfonyl-N-(oxan-4-yl)acetamide

C13H18N2O4S — CID 63098200

IUPAC2-(4-aminophenyl)sulfonyl-N-(oxan-4-yl)acetamide
SMILESNc1ccc(S(=O)(=O)CC(=O)NC2CCOCC2)cc1
InChIInChI=1S/C13H18N2O4S/c14-10-1-3-12(4-2-10)20(17,18)9-13(16)15-11-5-7-19-8-6-11/h1-4,11H,5-9,14H2,(H,15,16)
InChIKeyWWWRETHURBIKJW-UHFFFAOYSA-N
MW298.36 g/mol
LogP0.34
Rot. Bonds4

About 2-(4-aminophenyl)sulfonyl-N-(oxan-4-yl)acetamide

2-(4-aminophenyl)sulfonyl-N-(oxan-4-yl)acetamide (PubChem CID 63098200) has the molecular formula C13H18N2O4S and a molecular weight of 298.36 g/mol. Its IUPAC name is 2-(4-aminophenyl)sulfonyl-N-(oxan-4-yl)acetamide.

Molecular Properties

Compound Name2-(4-aminophenyl)sulfonyl-N-(oxan-4-yl)acetamide
PubChem CID63098200
Molecular FormulaC13H18N2O4S
Molecular Weight298.36 g/mol
Exact Mass298.10
IUPAC Name2-(4-aminophenyl)sulfonyl-N-(oxan-4-yl)acetamide
SMILESNc1ccc(S(=O)(=O)CC(=O)NC2CCOCC2)cc1
InChIInChI=1S/C13H18N2O4S/c14-10-1-3-12(4-2-10)20(17,18)9-13(16)15-11-5-7-19-8-6-11/h1-4,11H,5-9,14H2,(H,15,16)
InChIKeyWWWRETHURBIKJW-UHFFFAOYSA-N
XLogP0.34
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.36
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[2-(oxan-4-ylamino)-2-oxoethyl] 2-(4-aminophenyl)acetate
CID 63098891
2-(4-aminophenyl)sulfonyl-N-carbamoylacetamide
CID 61369547
ethyl 4-[[2-(4-chlorophenyl)sulfonylacetyl]amino]piperidine-1-carboxylate
CID 51193856
2-(4-amino-2-methylphenyl)sulfonyl-N-cyclopentylacetamide
CID 81191498
2-[(4-aminophenyl)methylsulfonyl]-N-cyclohexylacetamide
CID 94804331
2-(4-aminophenyl)sulfonyl-N-(cyanomethyl)acetamide
CID 61368216
2-(4-aminophenyl)sulfonyl-N-(2,2,2-trifluoroethyl)acetamide
CID 61492492
2-(4-aminophenyl)-N-cyclobutylacetamide
CID 62416481
[2-(oxan-4-ylamino)-2-oxoethyl] 5-amino-2-fluorobenzoate
CID 63099389
2-(4-methylphenyl)-N-(oxan-4-yl)acetamide
CID 110726863
2-(4-aminopyrazol-1-yl)-N-(oxan-4-yl)acetamide
CID 43609571
3-amino-N-(oxan-4-yl)propanamide
CID 43610037

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminophenyl)sulfonyl-N-(oxan-4-yl)acetamide?
The IUPAC name of 2-(4-aminophenyl)sulfonyl-N-(oxan-4-yl)acetamide (CID 63098200) is 2-(4-aminophenyl)sulfonyl-N-(oxan-4-yl)acetamide.
What is the SMILES notation for 2-(4-aminophenyl)sulfonyl-N-(oxan-4-yl)acetamide?
The canonical SMILES for 2-(4-aminophenyl)sulfonyl-N-(oxan-4-yl)acetamide is Nc1ccc(S(=O)(=O)CC(=O)NC2CCOCC2)cc1.
What is the InChIKey of 2-(4-aminophenyl)sulfonyl-N-(oxan-4-yl)acetamide?
The InChIKey is WWWRETHURBIKJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S/c14-10-1-3-12(4-2-10)20(17,18)9-13(16)15-11-5-7-19-8-6-11/h1-4,11H,5-9,14H2,(H,15,16).
What are the key properties of 2-(4-aminophenyl)sulfonyl-N-(oxan-4-yl)acetamide?
2-(4-aminophenyl)sulfonyl-N-(oxan-4-yl)acetamide has a molecular weight of 298.36 g/mol, XLogP of 0.34, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminophenyl)sulfonyl-N-(oxan-4-yl)acetamide is sourced from PubChem (CID 63098200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).